4.7 Article

Correlation consistent basis sets for molecular core-valence effects with explicitly correlated wave functions: The atoms B-Ne and Al-Ar

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

The geminal basis in explicitly correlated wave functions

Sebastian Hoefener et al.

CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

Simplified CCSD(T)-F12 methods: Theory and benchmarks

Gerald Knizia et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

Assessment of basis sets for F12 explicitly-correlated molecular electronic-structure methods

Florian A. Bischoff et al.

MOLECULAR PHYSICS (2009)

Article Chemistry, Physical

Optimized auxiliary basis sets for explicitly correlated methods

Kazim E. Yousaf et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Systematically convergent basis sets for explicitly correlated wavefunctions: The atoms H, He, B-Ne, and Al-Ar

Kirk A. Peterson et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Explicitly correlated RMP2 for high-spin open-shell reference states

Gerald Knizia et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Review Chemistry, Physical

Quantitative quantum chemistry

Trygve Helgaker et al.

MOLECULAR PHYSICS (2008)

Article Chemistry, Physical

A simple and efficient CCSD(T)-F12 approximation

Thomas B. Adler et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Medicinal

Basis set exchange: A community database for computational sciences

Karen L. Schuchardt et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)

Article Chemistry, Physical

General orbital invariant MP2-F12 theory

Hans-Joachim Werner et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

Analysis of the errors in explicitly correlated electronic structure theory

AJ May et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)

Article Chemistry, Physical

Improving on the resolution of the identity in linear R12 ab initio theories

EF Valeev

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

Density fitting in second-order linear-r12 Moller-Plesset perturbation theory

FR Manby

JOURNAL OF CHEMICAL PHYSICS (2003)

Article Chemistry, Physical

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

W Klopper et al.

JOURNAL OF CHEMICAL PHYSICS (2002)