Calculation of the molecular integrals with the range-separated correlation factor

Quantum Monte Carlo for noncovalent interactions: an efficient protocol attaining benchmark accuracy

(2014) Matúš Dubecký et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

On the large interelectronic distance behavior of the correlation factor for explicitly correlated wave functions

(2013) Michał Lesiuk et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum Monte Carlo Methods Describe Noncovalent Interactions with Subchemical Accuracy

(2013) Matúš Dubecký et al.   Journal of Chemical Theory and Computation

Quantum Monte Carlo Study of π-Bonded Transition Metal Organometallics: Neutral and Cationic Vanadium–Benzene and Cobalt–Benzene Half Sandwiches

(2012) L. Horváthová et al.   Journal of Chemical Theory and Computation

Explicitly correlated wave functions: summary and perspective

(2012) Seiichiro Ten-no   THEORETICAL CHEMISTRY ACCOUNTS

Multireference F12 coupled cluster theory: The Brillouin-Wigner approach with single and double excitations

(2011) Stanislav Kedžuch et al.   CHEMICAL PHYSICS LETTERS

Quantum Monte Carlo and Related Approaches

(2011) Brian M. Austin et al.   CHEMICAL REVIEWS

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

A general formulation for the efficient evaluation of n-electron integrals over products of Gaussian charge distributions with Gaussian geminal functions

(2011) Andrew Komornicki et al.   JOURNAL OF CHEMICAL PHYSICS

Explicitly correlated multireference configuration interaction with multiple reference functions: Avoided crossings and conical intersections

(2011) Toru Shiozaki et al.   JOURNAL OF CHEMICAL PHYSICS

Explicitly correlated multireference configuration interaction: MRCI-F12

(2011) Toru Shiozaki et al.   JOURNAL OF CHEMICAL PHYSICS

The Lithium–Thiophene Riddle Revisited

(2011) Martin Korth et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Communication: Second-order multireference perturbation theory with explicit correlation: CASPT2-F12

(2010) Toru Shiozaki et al.   JOURNAL OF CHEMICAL PHYSICS

Ground and excited electronic states of azobenzene: A quantum Monte Carlo study

(2010) M. Dubecký et al.   JOURNAL OF CHEMICAL PHYSICS

Optical to ultraviolet spectra of sandwiches of benzene and transition metal atoms: Time dependent density functional theory and many-body calculations

(2010) J. I. Martínez et al.   JOURNAL OF CHEMICAL PHYSICS

Correlation consistent basis sets for molecular core-valence effects with explicitly correlated wave functions: The atoms B–Ne and Al–Ar

(2010) J. Grant Hill et al.   JOURNAL OF CHEMICAL PHYSICS

Explicitly-correlated Gaussian geminals in electronic structure calculations

(2010) Krzysztof Szalewicz et al.   MOLECULAR PHYSICS

Correlation consistent basis sets for explicitly correlated wavefunctions: valence and core–valence basis sets for Li, Be, Na, and Mg

(2010) J. Grant Hill et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Universal perturbative explicitly correlated basis set incompleteness correction

(2009) Martin Torheyden et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular hydrogen adsorbed on benzene: Insights from a quantum Monte Carlo study

(2008) Todd D. Beaudet 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

Inclusion of explicit electron-proton correlation in the nuclear-electronic orbital approach using Gaussian-type geminal functions

(2008) Arindam Chakraborty et al.   JOURNAL OF CHEMICAL PHYSICS

Toward the Exact Solution of the Electronic Schrödinger Equation for Noncovalent Molecular Interactions:  Worldwide Distributed Quantum Monte Carlo Calculations†

(2008) Martin Korth et al.   JOURNAL OF PHYSICAL CHEMISTRY A