4.4 Article

Explicitly correlated frequency-independent second-order green's function for accurate ionization energies

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

General-Order Many-Body Green's Function Method

So Hirata et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)

Article Chemistry, Physical

Massively Parallel MP2-F12 Calculations on the K Computer

Yu-ya Ohnishi et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2015)

Review Chemistry, Physical

Multireference explicitly correlated F12 theories

Toru Shiozaki et al.

MOLECULAR PHYSICS (2013)

Review Chemistry, Multidisciplinary

Electron propagator theory: an approach to prediction and interpretation in quantum chemistry

Joseph Vincent Ortiz

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2013)

Review Chemistry, Multidisciplinary

Explicitly Correlated R12/F12 Methods for Electronic Structure

Liguo Kong et al.

CHEMICAL REVIEWS (2012)

Review Chemistry, Multidisciplinary

Explicitly Correlated Electrons in Molecules

Christof Haettig et al.

CHEMICAL REVIEWS (2012)

Article Chemistry, Physical

Explicitly correlated wave functions: summary and perspective

Seiichiro Ten-no

THEORETICAL CHEMISTRY ACCOUNTS (2012)

Article Chemistry, Multidisciplinary

Explicitly correlated electronic structure theory from R12/F12 ansatze

Seiichiro Ten-no et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)

Article Chemistry, Physical

Improved Prediction of Properties of π-Conjugated Oligomers with Range-Separated Hybrid Density Functionals

Ulrike Salzner et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)

Article Chemistry, Multidisciplinary

Green's function methods for calculating ionization potentials, electron affinities, and excitation energies

David Danovich

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)

Article Chemistry, Physical

On Koopmans' theorem in density functional theory

Takao Tsuneda et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Article Chemistry, Physical

Communications: Explicitly correlated equation-of-motion coupled cluster method for ionized states

Denis Bokhan et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Article Chemistry, Physical

Implementation of the CCSD(T)(F12) method using numerical quadratures

Denis Bokhan et al.

CHEMICAL PHYSICS LETTERS (2009)

Article Chemistry, Physical

Diagonal orbital-invariant explicitly-correlated coupled-cluster method

David P. Tew et al.

CHEMICAL PHYSICS LETTERS (2008)

Article Chemistry, Physical

Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections

Jeng-Da Chai et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)

Review Chemistry, Physical

R12 methods in explicitly correlated molecular electronic structure theory

Wim Klopper et al.

INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2006)

Article Chemistry, Physical

A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

T Yanai et al.

CHEMICAL PHYSICS LETTERS (2004)

Article Chemistry, Physical

Initiation of explicitly correlated Slater-type geminal theory

S Ten-No

CHEMICAL PHYSICS LETTERS (2004)

Article Chemistry, Physical

Explicitly correlated second-order Moller-Plesset methods with auxiliary basis sets

W Klopper et al.

JOURNAL OF CHEMICAL PHYSICS (2002)

Article Chemistry, Physical

A long-range correction scheme for generalized-gradient-approximation exchange functionals

H Iikura et al.

JOURNAL OF CHEMICAL PHYSICS (2001)