Explicitly correlated coupled-cluster theory using cusp conditions. I. Perturbation analysis of coupled-cluster singles and doubles (CCSD-F12)

Towards the Hartree–Fock and coupled-cluster singles and doubles basis set limit: A study of various models that employ single excitations into a complementary auxiliary basis set

(2010) Andreas Köhn et al.   JOURNAL OF CHEMICAL PHYSICS

Communications: Accurate and efficient approximations to explicitly correlated coupled-cluster singles and doubles, CCSD-F12

(2010) Christof Hättig et al.   JOURNAL OF CHEMICAL PHYSICS

Open-shell explicitly correlated F12 methods

(2010) David P. Tew et al.   MOLECULAR PHYSICS

The subtleties of explicitly correlated Z-averaged perturbation theory: Choosing an R12 method for high-spin open-shell molecules

(2009) Jeremiah J. Wilke et al.   JOURNAL OF CHEMICAL PHYSICS

Explicitly correlated second-order Møller–Plesset perturbation theory for unrestricted Hartree–Fock reference functions with exact satisfaction of cusp conditions

(2009) Denis Bokhan et al.   JOURNAL OF CHEMICAL PHYSICS

Response properties with explicitly correlated coupled-cluster methods using a Slater-type correlation factor and cusp conditions

(2009) Matthias Hanauer et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2009) Gerald Knizia et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2009) Florian A. Bischoff et al.   MOLECULAR PHYSICS

The geminal basis in explicitly correlated wave functions

(2008) Sebastian Höfener et al.   CHEMICAL PHYSICS

On the one-particle basis set relaxation in R12 based theories

(2008) Jozef Noga et al.   CHEMICAL PHYSICS

Atomization energies from coupled-cluster calculations augmented with explicitly-correlated perturbation theory

(2008) Wim Klopper et al.   CHEMICAL PHYSICS

A diagonal orbital-invariant explicitly-correlated coupled-cluster method

(2008) David P. Tew et al.   CHEMICAL PHYSICS LETTERS

Explicitly correlated coupled cluster F12 theory with single and double excitations

(2008) Jozef Noga et al.   JOURNAL OF CHEMICAL PHYSICS

Explicitly correlated coupled-cluster singles and doubles method based on complete diagrammatic equations

(2008) Toru Shiozaki et al.   JOURNAL OF CHEMICAL PHYSICS

Implementation of the full explicitly correlated coupled-cluster singles and doubles model CCSD-F12 with optimally reduced auxiliary basis dependence

(2008) Andreas Köhn et al.   JOURNAL OF CHEMICAL PHYSICS

Optimized auxiliary basis sets for explicitly correlated methods

(2008) Kazim E. Yousaf et al.   JOURNAL OF CHEMICAL PHYSICS

High-accuracy extrapolated ab initio thermochemistry. III. Additional improvements and overview

(2008) Michael E. Harding et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2008) Kirk A. Peterson et al.   JOURNAL OF CHEMICAL PHYSICS

Simple coupled-cluster singles and doubles method with perturbative inclusion of triples and explicitly correlated geminals: The CCSD(T)R12¯ model

(2008) Edward F. Valeev et al.   JOURNAL OF CHEMICAL PHYSICS

Comment on Quintuple-ζ quality coupled-cluster correlation energies with triple-ζ basis sets by D. P. Tew, W. Klopper, C. Neiss and C. Hättig, Phys. Chem. Chem. Phys., 2007, 9, 1921 [erratum]

(2008) David P. Tew et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Variational formulation of perturbative explicitly-correlated coupled-cluster methods

(2008) Martin Torheyden et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Implementation of the CCSD(T)-F12 method using cusp conditions

(2008) Denis Bokhan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Coupled-cluster methods with perturbative inclusion of explicitly correlated terms: a preliminary investigation

(2007) Edward F. Valeev   PHYSICAL CHEMISTRY CHEMICAL PHYSICS