A coupled cluster treatment of intramonomer electron correlation within symmetry-adapted perturbation theory: benchmark calculations and a comparison with a density-functional theory description

Efficient Calculations of Dispersion Energies for Nanoscale Systems from Coupled Density Response Functions

(2012) Rafał Podeszwa et al.   Journal of Chemical Theory and Computation

Small Molecules in C60and C70: Which Complexes Could Be Stabilized?

(2011) Tatiana Korona et al.   Journal of Chemical Theory and Computation

Accurate Interaction Energies for Problematic Dispersion-Bound Complexes: Homogeneous Dimers of NCCN, P2, and PCCP

(2011) Edward G. Hohenstein et al.   Journal of Chemical Theory and Computation

Gaussian basis sets for use in correlated molecular calculations. VII. Valence, core-valence, and scalar relativistic basis sets for Li, Be, Na, and Mg

(2010) Brian P. Prascher et al.   THEORETICAL CHEMISTRY ACCOUNTS

Orbital relaxation and the third-order induction energy in symmetry-adapted perturbation theory

(2010) Konrad Patkowski et al.   THEORETICAL CHEMISTRY ACCOUNTS

Symmetry-Adapted Perturbation Theory Applied to Endohedral Fullerene Complexes: A Stability Study of H2@C60and 2H2@C60

(2009) Tatiana Korona et al.   Journal of Chemical Theory and Computation

Exchange-Dispersion Energy: A Formulation in Terms of Monomer Properties and Coupled Cluster Treatment of Intramonomer Correlation

(2009) Tatiana Korona   Journal of Chemical Theory and Computation

First-order exchange energy of intermolecular interactions from coupled cluster density matrices and their cumulants

(2008) Tatiana Korona   JOURNAL OF CHEMICAL PHYSICS

Dispersion energy from density-fitted density susceptibilities of singles and doubles coupled cluster theory

(2008) Tatiana Korona et al.   JOURNAL OF CHEMICAL PHYSICS

Stacking Energies for Average B-DNA Structures from the Combined Density Functional Theory and Symmetry-Adapted Perturbation Theory Approach

(2008) Annamaria Fiethen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Second-order exchange-induction energy of intermolecular interactions from coupled cluster density matrices and their cumulants

(2008) Tatiana Korona   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Two-particle density matrix cumulant of coupled cluster theory

(2008) Tatiana Korona   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Complete basis set limit ofAb initio binding energies and geometrical parameters for various typical types of complexes

(2007) Seung Kyu Min et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY