Anatomy of molecular properties evaluated with explicitly correlated electronic wave functions

Prediction of Reaction Barriers and Thermochemical Properties with Explicitly Correlated Coupled-Cluster Methods: A Basis Set Assessment

(2012) Jinmei Zhang et al.   Journal of Chemical Theory and Computation

Explicitly Correlated R12/F12 Methods for Electronic Structure

(2011) Liguo Kong et al.   CHEMICAL REVIEWS

Explicitly Correlated Electrons in Molecules

(2011) Christof Hättig et al.   CHEMICAL REVIEWS

Application of explicitly correlated coupled-cluster methods to molecules containing post-3d main group elements

(2011) Kirk A. Peterson et al.   MOLECULAR PHYSICS

Explicitly correlated electronic structure theory from R12/F12 ansätze

(2011) Seiichiro Ten-no et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

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

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

Scalar relativistic explicitly correlated R12 methods

(2010) Florian A. Bischoff et al.   JOURNAL OF CHEMICAL PHYSICS

Analytic Calculation of First-order Molecular Properties at the Explicitly-correlated Second-order Møller-Plesset Level

(2010) Sebastian Höfener et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Optimized complementary auxiliary basis sets for explicitly correlated methods: aug-cc-pVnZ orbital basis sets

(2009) Kazim E. Yousaf et al.   CHEMICAL PHYSICS LETTERS

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

(2009) Andreas Köhn   JOURNAL OF CHEMICAL PHYSICS

Highly accurate CCSD(R12) and CCSD(F12) optical response properties using standard triple-ζ basis sets

(2009) Jun Yang 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

Is the adiabatic approximation sufficient to account for the post-Born–Oppenheimer effects on molecular electric dipole moments?

(2009) Sandra L. Hobson et al.   MOLECULAR 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

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

A new ab initio ground-state dipole moment surface for the water molecule

(2008) Lorenzo Lodi et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2007) Edward F. Valeev   PHYSICAL CHEMISTRY CHEMICAL PHYSICS