Nicholas J. Russ

Q Chem (United States) — United States

Physics and Astronomy · Physical Sciences

7h-index4.5kcitations10works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(8), Spectroscopy and Quantum Chemical Studies(6), Crystallography and molecular interactions(2), Quantum, superfluid, helium dynamics(2), Molecular spectroscopy and chirality(2)

Publications10 total

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Molecular Physics·2014· 3.1k cited
Psi4: an open‐source <i>ab initio</i> electronic structure program
Wiley Interdisciplinary Reviews Computational Molecular Science·2011· 1.0k cited
Efficient and accurate numerical integration of exchange-correlation density functionals
Physical Review A·2011· 7 cited
Fast computation of DFT nuclear gradient with multiresolution*<i>This article is dedicated to Dr. Russell J. Boyd for his distinguished career in chemical research</i>.
Canadian Journal of Chemistry·2011· 3 cited
Local correlation domains for coupled cluster theory: optical rotation and magnetic-field perturbations
Physical Chemistry Chemical Physics·2008· 41 cited
Local Correlation: Implementation and Application to Molecular Response Properties
VTechWorks (Virginia Tech)·2006Open Access
Local correlation in coupled cluster calculations of molecular response properties
Chemical Physics Letters·2004· 84 cited
Coupled cluster calculations of optical rotatory dispersion of (<i>S</i>)-methyloxirane
The Journal of Chemical Physics·2004· 126 cited
Potential energy surface discontinuities in local correlation methods
The Journal of Chemical Physics·2004· 74 cited
Real versus artifactual symmetry-breaking effects in Hartree–Fock, density-functional, and coupled-cluster methods
The Journal of Chemical Physics·2004· 71 cited

Frequent Co-authors

T. Daniel Crawford(6), C C Chang(3), Edward G. Hohenstein(2), Rollin A. King(2), Jing Kong(2), Yihan Shao(1), Zhengting Gan(1), Evgeny Epifanovsky(1), Andrew T. B. Gilbert(1), Michael Wormit(1), Jörg Kußmann(1), Adrian W. Lange(1), Andrew Behn(1), Jia Deng(1), Xintian Feng(1), Debashree Ghosh(1), Matthew Goldey(1), Paul R. Horn(1), Leif D. Jacobson(1), Ilya Kaliman(1)