Explicitly-correlated Gaussian geminals in electronic structure calculations

Analytical energy gradient in variational calculations of the two lowest P3 states of the carbon atom with explicitly correlated Gaussian basis functions

(2010) Keeper L. Sharkey et al.   JOURNAL OF CHEMICAL PHYSICS

Argon pair potential at basis set and excitation limits

(2010) Konrad Patkowski et al.   JOURNAL OF CHEMICAL PHYSICS

Relativistic and Quantum Electrodynamics Effects in the Helium Pair Potential

(2010) M. Przybytek et al.   PHYSICAL REVIEW LETTERS

Interatomic Coulombic Decay following Photoionization of the Helium Dimer: Observation of Vibrational Structure

(2010) T. Havermeier et al.   PHYSICAL REVIEW LETTERS

Single Photon Double Ionization of the Helium Dimer

(2010) T. Havermeier et al.   PHYSICAL REVIEW LETTERS

Ab initio properties of gaseous helium

(2009) James B. Mehl   COMPTES RENDUS PHYSIQUE

Infinite-order functional for nonlinear parameters optimization in explicitly correlated coupled cluster theory

(2009) Michal Przybytek et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Non-Born–Oppenheimer calculations of the BH molecule

(2009) Sergiy Bubin et al.   JOURNAL OF CHEMICAL PHYSICS

How to calculate H3 better

(2009) Michele Pavanello et al.   JOURNAL OF CHEMICAL PHYSICS

Higher-order explicitly correlated coupled-cluster methods

(2009) Toru Shiozaki et al.   JOURNAL OF CHEMICAL PHYSICS

Explicitly correlated connected triple excitations in coupled-cluster theory

(2009) Andreas Köhn   JOURNAL OF CHEMICAL PHYSICS

Theoretical Determination of the Dissociation Energy of Molecular Hydrogen

(2009) Konrad Piszczatowski et al.   Journal of Chemical Theory and Computation

Ultra-high accuracy calculations for hydrogen molecule and helium dimer

(2008) Wojciech Cencek et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Complete basis set extrapolations of dispersion, exchange, and coupled-clusters contributions to the interaction energy: a helium dimer study

(2008) Małgorzata Jeziorska et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Explicitly correlated coupled cluster F12 theory with single and double excitations

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

Potential energy surface for interactions between two hydrogen molecules

(2008) Konrad Patkowski et al.   JOURNAL OF CHEMICAL PHYSICS

Quantitative quantum chemistry

(2008) Trygve Helgaker et al.   MOLECULAR PHYSICS

Second-order Møller–Plesset calculations on the water molecule using Gaussian-type orbital and Gaussian-type geminal theory

(2008) Pål Dahle et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Direct calculation of interaction-induced molecular properties: An application to the relativistic mass-velocity and Darwin terms in the interaction energy of hydrogen atoms

(2008) Konrad Piszczatowski et al.   PHYSICAL REVIEW A