Communication: Symmetry-adapted perturbation theory with intermolecular induction and dispersion energies from the Bethe–Salpeter equation

Segmented Contracted Error-Consistent Basis Sets of Double- and Triple-ζ Valence Quality for One- and Two-Component Relativistic All-Electron Calculations

(2017) Patrik Pollak et al.   Journal of Chemical Theory and Computation

Experimental and Theoretical Determination of Dissociation Energies of Dispersion-Dominated Aromatic Molecular Complexes

(2016) Jann A. Frey et al.   CHEMICAL REVIEWS

Accurate dissociation energies of two isomers of the 1-naphthol⋅cyclopropane complex

(2016) Surajit Maity et al.   JOURNAL OF CHEMICAL PHYSICS

Quasi-Particle Self-Consistent GW for Molecules

(2016) F. Kaplan et al.   Journal of Chemical Theory and Computation

GW in the Gaussian and Plane Waves Scheme with Application to Linear Acenes

(2016) Jan Wilhelm et al.   Journal of Chemical Theory and Computation

Implementation of the Bethe−Salpeter equation in the TURBOMOLE program

(2016) Katharina Krause et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

0–0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life Compounds

(2015) Denis Jacquemin et al.   Journal of Chemical Theory and Computation

GW100: Benchmarking G0W0 for Molecular Systems

(2015) Michiel J. van Setten et al.   Journal of Chemical Theory and Computation

Coupled-cluster reference values for the GW27 and GW100 test sets for the assessment of GW methods

(2015) Katharina Krause et al.   MOLECULAR PHYSICS

Accurate computations of the structures and binding energies of the imidazole⋯benzene and pyrrole⋯benzene complexes

(2014) Sandra Ahnen et al.   CHEMICAL PHYSICS

Levels of symmetry adapted perturbation theory (SAPT). I. Efficiency and performance for interaction energies

(2014) Trent M. Parker et al.   JOURNAL OF CHEMICAL PHYSICS

Excited states properties of organic molecules: from density functional theory to the GW and Bethe-Salpeter Green's function formalisms

(2014) C. Faber et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

On asymptotic behavior of density functional theory

(2013) Wojciech Cencek et al.   JOURNAL OF CHEMICAL PHYSICS

Single-determinant-based symmetry-adapted perturbation theory without single-exchange approximation

(2013) Rainer Schäffer et al.   MOLECULAR PHYSICS

Turbomole

(2013) Filipp Furche et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Symmetry-adapted perturbation theory based on density functional theory for noncovalent interactions

(2013) Georg Jansen   Wiley Interdisciplinary Reviews-Computational Molecular Science

Symmetry-adapted perturbation theory based on unrestricted Kohn-Sham orbitals for high-spin open-shell van der Waals complexes

(2012) Michał Hapka et al.   JOURNAL OF CHEMICAL PHYSICS

The GW-Method for Quantum Chemistry Applications: Theory and Implementation

(2012) M. J. van Setten et al.   Journal of Chemical Theory and Computation

Origins of the Stability of Imidazole–Imidazole, Benzene–Imidazole, and Benzene–Indole Dimers: CCSD(T)/CBS and SAPT Calculations

(2012) S. Karthikeyan et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

(2012) Tatiana Korona   MOLECULAR PHYSICS

Unified description of ground and excited states of finite systems: The self-consistentGWapproach

(2012) F. Caruso et al.   PHYSICAL REVIEW B

Short-Range to Long-Range Charge-Transfer Excitations in the Zincbacteriochlorin-Bacteriochlorin Complex: A Bethe-Salpeter Study

(2012) I. Duchemin et al.   PHYSICAL REVIEW LETTERS

Segmented contracted basis sets for atoms H through Xe: Sapporo-(DK)-nZP sets (n = D, T, Q)

(2012) Takeshi Noro et al.   THEORETICAL CHEMISTRY ACCOUNTS

First-principlesGWcalculations for fullerenes, porphyrins, phtalocyanine, and other molecules of interest for organic photovoltaic applications

(2011) X. Blase et al.   PHYSICAL REVIEW B

All-electronGWmethods implemented in molecular orbital space: Ionization energy and electron affinity of conjugated molecules

(2011) San-Huang Ke   PHYSICAL REVIEW B

Symmetry-adapted perturbation theory of intermolecular forces

(2011) Krzysztof Szalewicz   Wiley Interdisciplinary Reviews-Computational Molecular Science