Progress in Physical Chemistry Volume 3 : Modern and Universal First-principles Methods for Many-electron Systems in Chemistry and Physics / Franz Michael Dolg.

Format:

Book

Contributor:

Dolg, Franz Michael, editor.

Language:

English

Subjects (All):

Biochemistry.

Chemistry, Physical and theoretical.

Physical Description:

1 online resource (430 p.)

Place of Publication:

Berlin ; Boston : Oldenbourg Wissenschaftsverlag, [2011]

Language Note:

English

Summary:

Progress in Physical Chemistry is a collection of recent »Review Articles« published in the »Zeitschrift für Physikalische Chemie«.

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

Notes:

Includes index.

Description based on online resource; title from PDF title page (publisher's Web site, viewed 08. Jul 2019)

ISBN:

9783486711639

3486711636

OCLC:

979884128