Progress in Physical Chemistry Volume 3 : : Modern and Universal First-principles Methods for Many-electron Systems in Chemistry and Physics / / ed. by Franz Michael Dolg.
Progress in Physical Chemistry is a collection of recent »Review Articles« published in the »Zeitschrift für Physikalische Chemie«. The third volume of the series "Progress in Physical Chemistry" comprises 27 articles, most of them with review character, written by the members of the Prior...
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| Place / Publishing House: | Berlin ;, Boston : : Oldenbourg Wissenschaftsverlag, , [2011] ©2010 |
| Year of Publication: | 2011 |
| Language: | English |
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| Physical Description: | 1 online resource (422 p.) |
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Progress in Physical Chemistry Volume 3 : Modern and Universal First-principles Methods for Many-electron Systems in Chemistry and Physics / ed. by Franz Michael Dolg. Berlin ; Boston : Oldenbourg Wissenschaftsverlag, [2011] ©2010 1 online resource (422 p.) text txt rdacontent computer c rdamedia online resource cr rdacarrier text file PDF rda Front Matter -- A Critical Evaluation of the Dynamical Thresholding Algorithm in Coupled Cluster Calculations -- An Additive Long-range Potential to Correct for the Charge-transfer Failure of Time-dependent Density Functional Theory -- Density-Functional Theory with Orbital-Dependent Functionals: Exact-exchange Kohn-Sham and Density-Functional Response Methods -- Electron Structure Quantum Monte Carlo -- First-Principles Calculation of Electronic Excitations in Solids with SPEX -- Development of a Wavefunction-based Ab Initio Method for Metals Applying the Method of Increments -- Recent Advances in Explicitly Correlated Coupled-Cluster Response Theory for Excited States and Optical Properties -- A Linear-Scaling MP2 Method for Large Molecules by Rigorous Integral-Screening Criteria -- A Quasirelativistic Two-component Density Functional and Hartree-Fock Program -- Self-interaction Free Relativistic Spin-density Functional Theory -- Second Order Local Mller-Plesset Perturbation Theory for Periodic Systems: the CRYSCOR Code -- Orbital-dependent Representation of Correlation Energy Functional -- Discontinuities of the Chemical Potential in Reduced Density Matrix Functional Theory -- Coupling of Short-range Density-functional with Long-range Post-Hartree-Fock Methods -- Benchmark Studies for Explicitly Correlated Perturbation- and Coupled Cluster Theories -- Fully Automated Implementation of the Incremental Scheme for Correlation Energies -- Tensor Product Multiscale Many-Particle Spaces with Finite-Order Weights for the Electronic Schrdinger Equation -- On Occupied-orbital Dependent Exchange-correlation Functionals: From Local Hybrids to Beckes B05 Model -- Ab initio Electron Dynamics with the Multi-Configuration Time-Dependent Hartree-Fock Method -- The Density Matrix Renormalization Group Algorithm in Quantum Chemistry -- Local Time-Dependent Coupled Cluster Response for Properties of Excited States in Large Molecules -- Extended Systems in Electrostatic Fields -- Exact Solutions for a Two-electron Quantum Dot Model in a Magnetic Field and Application to More Complex Sytems -- Adaptive Methods in Quantum Chemistry -- A Relativistic Four- and Two-component Generalized-active-space Coupled Cluster Method -- Canonical Tensor Products as a Generalization of Gaussian-type Orbitals -- Analytic Calculation of First-order Molecular Properties at the Explicitly-correlated Second-order Mller-Plesset Level -- Back Matter restricted access http://purl.org/coar/access_right/c_16ec online access with authorization star Progress in Physical Chemistry is a collection of recent »Review Articles« published in the »Zeitschrift für Physikalische Chemie«. The third volume of the series "Progress in Physical Chemistry" comprises 27 articles, most of them with review character, written by the members of the Priority Program (SPP) 1145 of the German Research Foundation (DFG). Mode of access: Internet via World Wide Web. In English. Description based on online resource; title from PDF title page (publisher's Web site, viewed 24. Apr 2022) Biochemistry. Chemistry, Physical and theoretical. Electronic structure. SCIENCE / Chemistry / General. bisacsh Adler, Thomas B., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Akai, H., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Arbuznikov, Alexei, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Auer, Alexander A., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Bahmann, Hilke, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Baldsiefen, T., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Blügel, Stefan, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Champagne, Benoît, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Chinnamsetty, Sambasiva Rao, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Clin, Lucien, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Dewhurst, J. K., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Dolg, Franz Michael, editor. edt http://id.loc.gov/vocabulary/relators/edt Dolg, Michael, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Dong, Yi, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Doser, Bernd, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Dreuw, Andreas, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Dutoi, Anthony Dean, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Ebert, H., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Eich, F., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Engel, E., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Eschrig, Helmut, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Espig, Mike, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Flad, Heinz-Jürgen, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Fleig, Timo, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Friedrich, Christoph, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Friedrich, Joachim, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Goll, Erich, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Griebel, Michael, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Grling, Andreas, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Gross, E. K. U., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Gtz, Andreas W., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Hackbusch, Wolfgang, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Hamaekers, Jan, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Hanrath, Michael, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Head-Gordon, Martin, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Heelmann, Andreas, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Helbig, N., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Hättig, Christof, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Höfener, Sebastian, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Ipatov, Andrey, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Jiang, H., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Kats, Danylo, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Kaupp, Martin, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Kirtman, Bernard, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Klamroth, Tillmann, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Klopper, Wim, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Knizia, Gerald, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Ködderitzsch, D., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Lambrecht, Daniel S., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Lathiotakis, N. N., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Lüchow, Arne, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Marchetti, Oliver, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Marques, M. A. L., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Marti, Konrad Heinrich, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Maschio, Lorenzo, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Nest, Mathias, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Ochsenfeld, Christian, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Olsen, Jeppe, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Paulus, Beate, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Petz, René, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Pisani, Cesare, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Pltner, Jrgen, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Reiher, Markus, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Rohwedder, Thorsten, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Saalfrank, Peter, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Schindlmayr, Arno, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Schneider, Reinhold, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Schwarz, Annett, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Schütz, Martin, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Sharma, S., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Springborg, Michael, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Stoll, Hermann, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Sørensen, Lasse K., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Taut, Manfred, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Tevekeliyska, Violina, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Usvyat, Denis, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Voloshina, Elena, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Werner, Hans-Joachim, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Wormit, Michael, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Yang, Jun, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Zacarias, A., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Zienau, Jan, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb van Wüllen, Christoph, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Şşloğlu, Ersoy, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Title is part of eBook package: De Gruyter DGBA Backlist Complete English Language 2000-2014 PART1 9783110238570 Title is part of eBook package: De Gruyter DGBA Backlist Physical Sciences 2000-2014 (EN) 9783110238518 Title is part of eBook package: De Gruyter DGBA Physical Sciences 2000 - 2014 9783110637212 ZDB-23-GPS Title is part of eBook package: De Gruyter eBook-Paket OWV Mathe, Physik 2005-2012 9783110346800 ZDB-42-OPH print 9783486598278 https://doi.org/10.1524/9783486711639 https://www.degruyter.com/isbn/9783486711639 Cover https://www.degruyter.com/document/cover/isbn/9783486711639/original |
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Adler, Thomas B., Adler, Thomas B., Akai, H., Akai, H., Arbuznikov, Alexei, Arbuznikov, Alexei, Auer, Alexander A., Auer, Alexander A., Bahmann, Hilke, Bahmann, Hilke, Baldsiefen, T., Baldsiefen, T., Blügel, Stefan, Blügel, Stefan, Champagne, Benoît, Champagne, Benoît, Chinnamsetty, Sambasiva Rao, Chinnamsetty, Sambasiva Rao, Clin, Lucien, Clin, Lucien, Dewhurst, J. K., Dewhurst, J. K., Dolg, Franz Michael, Dolg, Franz Michael, Dolg, Michael, Dolg, Michael, Dong, Yi, Dong, Yi, Doser, Bernd, Doser, Bernd, Dreuw, Andreas, Dreuw, Andreas, Dutoi, Anthony Dean, Dutoi, Anthony Dean, Ebert, H., Ebert, H., Eich, F., Eich, F., Engel, E., Engel, E., Eschrig, Helmut, Eschrig, Helmut, Espig, Mike, Espig, Mike, Flad, Heinz-Jürgen, Flad, Heinz-Jürgen, Fleig, Timo, Fleig, Timo, Friedrich, Christoph, Friedrich, Christoph, Friedrich, Joachim, Friedrich, Joachim, Goll, Erich, Goll, Erich, Griebel, Michael, Griebel, Michael, Grling, Andreas, Grling, Andreas, Gross, E. K. U., Gross, E. K. U., Gtz, Andreas W., Gtz, Andreas W., Hackbusch, Wolfgang, Hackbusch, Wolfgang, Hamaekers, Jan, Hamaekers, Jan, Hanrath, Michael, Hanrath, Michael, Head-Gordon, Martin, Head-Gordon, Martin, Heelmann, Andreas, Heelmann, Andreas, Helbig, N., Helbig, N., Hättig, Christof, Hättig, Christof, Höfener, Sebastian, Höfener, Sebastian, Ipatov, Andrey, Ipatov, Andrey, Jiang, H., Jiang, H., Kats, Danylo, Kats, Danylo, Kaupp, Martin, Kaupp, Martin, Kirtman, Bernard, Kirtman, Bernard, Klamroth, Tillmann, Klamroth, Tillmann, Klopper, Wim, Klopper, Wim, Knizia, Gerald, Knizia, Gerald, Ködderitzsch, D., Ködderitzsch, D., Lambrecht, Daniel S., Lambrecht, Daniel S., Lathiotakis, N. N., Lathiotakis, N. N., Lüchow, Arne, Lüchow, Arne, Marchetti, Oliver, Marchetti, Oliver, Marques, M. A. L., Marques, M. A. L., Marti, Konrad Heinrich, Marti, Konrad Heinrich, Maschio, Lorenzo, Maschio, Lorenzo, Nest, Mathias, Nest, Mathias, Ochsenfeld, Christian, Ochsenfeld, Christian, Olsen, Jeppe, Olsen, Jeppe, Paulus, Beate, Paulus, Beate, Petz, René, Petz, René, Pisani, Cesare, Pisani, Cesare, Pltner, Jrgen, Pltner, Jrgen, Reiher, Markus, Reiher, Markus, Rohwedder, Thorsten, Rohwedder, Thorsten, Saalfrank, Peter, Saalfrank, Peter, Schindlmayr, Arno, Schindlmayr, Arno, Schneider, Reinhold, Schneider, Reinhold, Schwarz, Annett, Schwarz, Annett, Schütz, Martin, Schütz, Martin, Sharma, S., Sharma, S., Springborg, Michael, Springborg, Michael, Stoll, Hermann, Stoll, Hermann, Sørensen, Lasse K., Sørensen, Lasse K., Taut, Manfred, Taut, Manfred, Tevekeliyska, Violina, Tevekeliyska, Violina, Usvyat, Denis, Usvyat, Denis, Voloshina, Elena, Voloshina, Elena, Werner, Hans-Joachim, Werner, Hans-Joachim, Wormit, Michael, Wormit, Michael, Yang, Jun, Yang, Jun, Zacarias, A., Zacarias, A., Zienau, Jan, Zienau, Jan, van Wüllen, Christoph, van Wüllen, Christoph, Şşloğlu, Ersoy, Şşloğlu, Ersoy, |
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Adler, Thomas B., Adler, Thomas B., Akai, H., Akai, H., Arbuznikov, Alexei, Arbuznikov, Alexei, Auer, Alexander A., Auer, Alexander A., Bahmann, Hilke, Bahmann, Hilke, Baldsiefen, T., Baldsiefen, T., Blügel, Stefan, Blügel, Stefan, Champagne, Benoît, Champagne, Benoît, Chinnamsetty, Sambasiva Rao, Chinnamsetty, Sambasiva Rao, Clin, Lucien, Clin, Lucien, Dewhurst, J. K., Dewhurst, J. K., Dolg, Franz Michael, Dolg, Franz Michael, Dolg, Michael, Dolg, Michael, Dong, Yi, Dong, Yi, Doser, Bernd, Doser, Bernd, Dreuw, Andreas, Dreuw, Andreas, Dutoi, Anthony Dean, Dutoi, Anthony Dean, Ebert, H., Ebert, H., Eich, F., Eich, F., Engel, E., Engel, E., Eschrig, Helmut, Eschrig, Helmut, Espig, Mike, Espig, Mike, Flad, Heinz-Jürgen, Flad, Heinz-Jürgen, Fleig, Timo, Fleig, Timo, Friedrich, Christoph, Friedrich, Christoph, Friedrich, Joachim, Friedrich, Joachim, Goll, Erich, Goll, Erich, Griebel, Michael, Griebel, Michael, Grling, Andreas, Grling, Andreas, Gross, E. K. U., Gross, E. K. U., Gtz, Andreas W., Gtz, Andreas W., Hackbusch, Wolfgang, Hackbusch, Wolfgang, Hamaekers, Jan, Hamaekers, Jan, Hanrath, Michael, Hanrath, Michael, Head-Gordon, Martin, Head-Gordon, Martin, Heelmann, Andreas, Heelmann, Andreas, Helbig, N., Helbig, N., Hättig, Christof, Hättig, Christof, Höfener, Sebastian, Höfener, Sebastian, Ipatov, Andrey, Ipatov, Andrey, Jiang, H., Jiang, H., Kats, Danylo, Kats, Danylo, Kaupp, Martin, Kaupp, Martin, Kirtman, Bernard, Kirtman, Bernard, Klamroth, Tillmann, Klamroth, Tillmann, Klopper, Wim, Klopper, Wim, Knizia, Gerald, Knizia, Gerald, Ködderitzsch, D., Ködderitzsch, D., Lambrecht, Daniel S., Lambrecht, Daniel S., Lathiotakis, N. N., Lathiotakis, N. N., Lüchow, Arne, Lüchow, Arne, Marchetti, Oliver, Marchetti, Oliver, Marques, M. A. L., Marques, M. A. L., Marti, Konrad Heinrich, Marti, Konrad Heinrich, Maschio, Lorenzo, Maschio, Lorenzo, Nest, Mathias, Nest, Mathias, Ochsenfeld, Christian, Ochsenfeld, Christian, Olsen, Jeppe, Olsen, Jeppe, Paulus, Beate, Paulus, Beate, Petz, René, Petz, René, Pisani, Cesare, Pisani, Cesare, Pltner, Jrgen, Pltner, Jrgen, Reiher, Markus, Reiher, Markus, Rohwedder, Thorsten, Rohwedder, Thorsten, Saalfrank, Peter, Saalfrank, Peter, Schindlmayr, Arno, Schindlmayr, Arno, Schneider, Reinhold, Schneider, Reinhold, Schwarz, Annett, Schwarz, Annett, Schütz, Martin, Schütz, Martin, Sharma, S., Sharma, S., Springborg, Michael, Springborg, Michael, Stoll, Hermann, Stoll, Hermann, Sørensen, Lasse K., Sørensen, Lasse K., Taut, Manfred, Taut, Manfred, Tevekeliyska, Violina, Tevekeliyska, Violina, Usvyat, Denis, Usvyat, Denis, Voloshina, Elena, Voloshina, Elena, Werner, Hans-Joachim, Werner, Hans-Joachim, Wormit, Michael, Wormit, Michael, Yang, Jun, Yang, Jun, Zacarias, A., Zacarias, A., Zienau, Jan, Zienau, Jan, van Wüllen, Christoph, van Wüllen, Christoph, Şşloğlu, Ersoy, Şşloğlu, Ersoy, |
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Adler, Thomas B., |
| title |
Progress in Physical Chemistry Volume 3 : Modern and Universal First-principles Methods for Many-electron Systems in Chemistry and Physics / |
| spellingShingle |
Progress in Physical Chemistry Volume 3 : Modern and Universal First-principles Methods for Many-electron Systems in Chemistry and Physics / Front Matter -- A Critical Evaluation of the Dynamical Thresholding Algorithm in Coupled Cluster Calculations -- An Additive Long-range Potential to Correct for the Charge-transfer Failure of Time-dependent Density Functional Theory -- Density-Functional Theory with Orbital-Dependent Functionals: Exact-exchange Kohn-Sham and Density-Functional Response Methods -- Electron Structure Quantum Monte Carlo -- First-Principles Calculation of Electronic Excitations in Solids with SPEX -- Development of a Wavefunction-based Ab Initio Method for Metals Applying the Method of Increments -- Recent Advances in Explicitly Correlated Coupled-Cluster Response Theory for Excited States and Optical Properties -- A Linear-Scaling MP2 Method for Large Molecules by Rigorous Integral-Screening Criteria -- A Quasirelativistic Two-component Density Functional and Hartree-Fock Program -- Self-interaction Free Relativistic Spin-density Functional Theory -- Second Order Local Mller-Plesset Perturbation Theory for Periodic Systems: the CRYSCOR Code -- Orbital-dependent Representation of Correlation Energy Functional -- Discontinuities of the Chemical Potential in Reduced Density Matrix Functional Theory -- Coupling of Short-range Density-functional with Long-range Post-Hartree-Fock Methods -- Benchmark Studies for Explicitly Correlated Perturbation- and Coupled Cluster Theories -- Fully Automated Implementation of the Incremental Scheme for Correlation Energies -- Tensor Product Multiscale Many-Particle Spaces with Finite-Order Weights for the Electronic Schrdinger Equation -- On Occupied-orbital Dependent Exchange-correlation Functionals: From Local Hybrids to Beckes B05 Model -- Ab initio Electron Dynamics with the Multi-Configuration Time-Dependent Hartree-Fock Method -- The Density Matrix Renormalization Group Algorithm in Quantum Chemistry -- Local Time-Dependent Coupled Cluster Response for Properties of Excited States in Large Molecules -- Extended Systems in Electrostatic Fields -- Exact Solutions for a Two-electron Quantum Dot Model in a Magnetic Field and Application to More Complex Sytems -- Adaptive Methods in Quantum Chemistry -- A Relativistic Four- and Two-component Generalized-active-space Coupled Cluster Method -- Canonical Tensor Products as a Generalization of Gaussian-type Orbitals -- Analytic Calculation of First-order Molecular Properties at the Explicitly-correlated Second-order Mller-Plesset Level -- Back Matter |
| title_sub |
Modern and Universal First-principles Methods for Many-electron Systems in Chemistry and Physics / |
| title_full |
Progress in Physical Chemistry Volume 3 : Modern and Universal First-principles Methods for Many-electron Systems in Chemistry and Physics / ed. by Franz Michael Dolg. |
| title_fullStr |
Progress in Physical Chemistry Volume 3 : Modern and Universal First-principles Methods for Many-electron Systems in Chemistry and Physics / ed. by Franz Michael Dolg. |
| title_full_unstemmed |
Progress in Physical Chemistry Volume 3 : Modern and Universal First-principles Methods for Many-electron Systems in Chemistry and Physics / ed. by Franz Michael Dolg. |
| title_auth |
Progress in Physical Chemistry Volume 3 : Modern and Universal First-principles Methods for Many-electron Systems in Chemistry and Physics / |
| title_alt |
Front Matter -- A Critical Evaluation of the Dynamical Thresholding Algorithm in Coupled Cluster Calculations -- An Additive Long-range Potential to Correct for the Charge-transfer Failure of Time-dependent Density Functional Theory -- Density-Functional Theory with Orbital-Dependent Functionals: Exact-exchange Kohn-Sham and Density-Functional Response Methods -- Electron Structure Quantum Monte Carlo -- First-Principles Calculation of Electronic Excitations in Solids with SPEX -- Development of a Wavefunction-based Ab Initio Method for Metals Applying the Method of Increments -- Recent Advances in Explicitly Correlated Coupled-Cluster Response Theory for Excited States and Optical Properties -- A Linear-Scaling MP2 Method for Large Molecules by Rigorous Integral-Screening Criteria -- A Quasirelativistic Two-component Density Functional and Hartree-Fock Program -- Self-interaction Free Relativistic Spin-density Functional Theory -- Second Order Local Mller-Plesset Perturbation Theory for Periodic Systems: the CRYSCOR Code -- Orbital-dependent Representation of Correlation Energy Functional -- Discontinuities of the Chemical Potential in Reduced Density Matrix Functional Theory -- Coupling of Short-range Density-functional with Long-range Post-Hartree-Fock Methods -- Benchmark Studies for Explicitly Correlated Perturbation- and Coupled Cluster Theories -- Fully Automated Implementation of the Incremental Scheme for Correlation Energies -- Tensor Product Multiscale Many-Particle Spaces with Finite-Order Weights for the Electronic Schrdinger Equation -- On Occupied-orbital Dependent Exchange-correlation Functionals: From Local Hybrids to Beckes B05 Model -- Ab initio Electron Dynamics with the Multi-Configuration Time-Dependent Hartree-Fock Method -- The Density Matrix Renormalization Group Algorithm in Quantum Chemistry -- Local Time-Dependent Coupled Cluster Response for Properties of Excited States in Large Molecules -- Extended Systems in Electrostatic Fields -- Exact Solutions for a Two-electron Quantum Dot Model in a Magnetic Field and Application to More Complex Sytems -- Adaptive Methods in Quantum Chemistry -- A Relativistic Four- and Two-component Generalized-active-space Coupled Cluster Method -- Canonical Tensor Products as a Generalization of Gaussian-type Orbitals -- Analytic Calculation of First-order Molecular Properties at the Explicitly-correlated Second-order Mller-Plesset Level -- Back Matter |
| title_new |
Progress in Physical Chemistry Volume 3 : |
| title_sort |
progress in physical chemistry volume 3 : modern and universal first-principles methods for many-electron systems in chemistry and physics / |
| publisher |
Oldenbourg Wissenschaftsverlag, |
| publishDate |
2011 |
| physical |
1 online resource (422 p.) |
| contents |
Front Matter -- A Critical Evaluation of the Dynamical Thresholding Algorithm in Coupled Cluster Calculations -- An Additive Long-range Potential to Correct for the Charge-transfer Failure of Time-dependent Density Functional Theory -- Density-Functional Theory with Orbital-Dependent Functionals: Exact-exchange Kohn-Sham and Density-Functional Response Methods -- Electron Structure Quantum Monte Carlo -- First-Principles Calculation of Electronic Excitations in Solids with SPEX -- Development of a Wavefunction-based Ab Initio Method for Metals Applying the Method of Increments -- Recent Advances in Explicitly Correlated Coupled-Cluster Response Theory for Excited States and Optical Properties -- A Linear-Scaling MP2 Method for Large Molecules by Rigorous Integral-Screening Criteria -- A Quasirelativistic Two-component Density Functional and Hartree-Fock Program -- Self-interaction Free Relativistic Spin-density Functional Theory -- Second Order Local Mller-Plesset Perturbation Theory for Periodic Systems: the CRYSCOR Code -- Orbital-dependent Representation of Correlation Energy Functional -- Discontinuities of the Chemical Potential in Reduced Density Matrix Functional Theory -- Coupling of Short-range Density-functional with Long-range Post-Hartree-Fock Methods -- Benchmark Studies for Explicitly Correlated Perturbation- and Coupled Cluster Theories -- Fully Automated Implementation of the Incremental Scheme for Correlation Energies -- Tensor Product Multiscale Many-Particle Spaces with Finite-Order Weights for the Electronic Schrdinger Equation -- On Occupied-orbital Dependent Exchange-correlation Functionals: From Local Hybrids to Beckes B05 Model -- Ab initio Electron Dynamics with the Multi-Configuration Time-Dependent Hartree-Fock Method -- The Density Matrix Renormalization Group Algorithm in Quantum Chemistry -- Local Time-Dependent Coupled Cluster Response for Properties of Excited States in Large Molecules -- Extended Systems in Electrostatic Fields -- Exact Solutions for a Two-electron Quantum Dot Model in a Magnetic Field and Application to More Complex Sytems -- Adaptive Methods in Quantum Chemistry -- A Relativistic Four- and Two-component Generalized-active-space Coupled Cluster Method -- Canonical Tensor Products as a Generalization of Gaussian-type Orbitals -- Analytic Calculation of First-order Molecular Properties at the Explicitly-correlated Second-order Mller-Plesset Level -- Back Matter |
| isbn |
9783486711639 9783110238570 9783110238518 9783110637212 9783110346800 9783486598278 |
| callnumber-first |
Q - Science |
| callnumber-subject |
QP - Physiology |
| callnumber-label |
QP514 |
| callnumber-sort |
QP 3514.2 P764 42010EB |
| url |
https://doi.org/10.1524/9783486711639 https://www.degruyter.com/isbn/9783486711639 https://www.degruyter.com/document/cover/isbn/9783486711639/original |
| illustrated |
Not Illustrated |
| dewey-hundreds |
500 - Science |
| dewey-tens |
570 - Life sciences; biology |
| dewey-ones |
574 - [Unassigned] 572 - Biochemistry |
| dewey-full |
574.192 572/.43 |
| dewey-sort |
3574.192 |
| dewey-raw |
574.192 572/.43 |
| dewey-search |
574.192 572/.43 |
| doi_str_mv |
10.1524/9783486711639 |
| oclc_num |
979884128 |
| work_keys_str_mv |
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Progress in Physical Chemistry Volume 3 : Modern and Universal First-principles Methods for Many-electron Systems in Chemistry and Physics / |
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