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

Approaching the Hartree–Fock limit by perturbative methods

(2009) Jia Deng et al.   JOURNAL OF CHEMICAL PHYSICS

A modified ansatz for explicitly correlated coupled-cluster wave functions that is suitable for response theory

(2009) Andreas Köhn   JOURNAL OF CHEMICAL PHYSICS

Explicitly correlated connected triple excitations in coupled-cluster theory

(2009) Andreas Köhn   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

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

(2008) Denis Bokhan et al.   CHEMICAL PHYSICS LETTERS

Optimized auxiliary basis sets for explicitly correlated methods

(2008) Kazim E. Yousaf 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

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

(2008) Gerald Knizia 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

Slater-type geminals in explicitly-correlated perturbation theory: application to n-alkanols and analysis of errors and basis-set requirements

(2008) Sebastian Höfener et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Explicitly correlated second-order perturbation theory calculations on molecules containing heavy main-group elements

(2008) Florian A. Bischoff et al.   THEORETICAL CHEMISTRY ACCOUNTS