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.

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• MitwirkendeR: Adler, Thomas B.,; Akai, H.,; Arbuznikov, Alexei,; Auer, Alexander A.,; Bahmann, Hilke,; Baldsiefen, T.,; Blügel, Stefan,; Champagne, Benoît,; Chinnamsetty, Sambasiva Rao,; Clin, Lucien,; Dewhurst, J. K.,; Dolg, Michael,; Dong, Yi,; Doser, Bernd,; Dreuw, Andreas,; Dutoi, Anthony Dean,; Ebert, H.,; Eich, F.,; Engel, E.,; Eschrig, Helmut,; Espig, Mike,; Flad, Heinz-Jürgen,; Fleig, Timo,; Friedrich, Christoph,; Friedrich, Joachim,; Goll, Erich,; Griebel, Michael,; Grling, Andreas,; Gross, E. K. U.,; Gtz, Andreas W.,; Hackbusch, Wolfgang,; Hamaekers, Jan,; Hanrath, Michael,; Head-Gordon, Martin,; Heelmann, Andreas,; Helbig, N.,; Hättig, Christof,; Höfener, Sebastian,; Ipatov, Andrey,; Jiang, H.,; Kats, Danylo,; Kaupp, Martin,; Kirtman, Bernard,; Klamroth, Tillmann,; Klopper, Wim,; Knizia, Gerald,; Ködderitzsch, D.,; Lambrecht, Daniel S.,; Lathiotakis, N. N.,; Lüchow, Arne,; Marchetti, Oliver,; Marques, M. A. L.,; Marti, Konrad Heinrich,; Maschio, Lorenzo,; Nest, Mathias,; Ochsenfeld, Christian,; Olsen, Jeppe,; Paulus, Beate,; Petz, René,; Pisani, Cesare,; Pltner, Jrgen,; Reiher, Markus,; Rohwedder, Thorsten,; Saalfrank, Peter,; Schindlmayr, Arno,; Schneider, Reinhold,; Schwarz, Annett,; Schütz, Martin,; Sharma, S.,; Springborg, Michael,; Stoll, Hermann,; Sørensen, Lasse K.,; Taut, Manfred,; Tevekeliyska, Violina,; Usvyat, Denis,; Voloshina, Elena,; Werner, Hans-Joachim,; Wormit, Michael,; Yang, Jun,; Zacarias, A.,; Zienau, Jan,; van Wüllen, Christoph,; Şşloğlu, Ersoy,
• HerausgeberIn: Dolg, Franz Michael,
• Place / Publishing House: Berlin ;, Boston : : Oldenbourg Wissenschaftsverlag, , [2011]; ©2010
• Year of Publication: 2011
• Language: English
• Physical Description: 1 online resource (422 p.)

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...

Table of 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