Edward G. Hohenstein
Edward G. Hohenstein
SLAC National Accelerator Laboratory
Verified email at slac.stanford.edu - Homepage
Title
Cited by
Cited by
Year
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
16342015
Psi4: an open‐source ab initio electronic structure program
JM Turney, AC Simmonett, RM Parrish, EG Hohenstein, FA Evangelista, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (4), 556-565, 2012
7022012
Assessment of the performance of the M05− 2X and M06− 2X exchange-correlation functionals for noncovalent interactions in biomolecules
EG Hohenstein, ST Chill, CD Sherrill
Journal of Chemical Theory and Computation 4 (12), 1996-2000, 2008
5442008
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
RM Parrish, LA Burns, DGA Smith, AC Simmonett, AE DePrince III, ...
Journal of chemical theory and computation 13 (7), 3185-3197, 2017
5232017
An assessment of theoretical methods for nonbonded interactions: comparison to complete basis set limit coupled-cluster potential energy curves for the benzene dimer, the …
CD Sherrill, T Takatani, EG Hohenstein
The Journal of Physical Chemistry A 113 (38), 10146-10159, 2009
3812009
Assessment of the performance of DFT and DFT-D methods for describing distance dependence of hydrogen-bonded interactions
KS Thanthiriwatte, EG Hohenstein, LA Burns, CD Sherrill
Journal of Chemical Theory and Computation 7 (1), 88-96, 2011
3572011
Basis set consistent revision of the S22 test set of noncovalent interaction energies
T Takatani, EG Hohenstein, M Malagoli, MS Marshall, CD Sherrill
The Journal of chemical physics 132 (14), 144104, 2010
3262010
Wavefunction methods for noncovalent interactions
EG Hohenstein, CD Sherrill
Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (2), 304-326, 2012
279*2012
Effects of heteroatoms on aromatic π− π interactions: benzene− pyridine and pyridine dimer
EG Hohenstein, CD Sherrill
The Journal of Physical Chemistry A 113 (5), 878-886, 2009
2692009
Density fitting and Cholesky decomposition approximations in symmetry-adapted perturbation theory: Implementation and application to probe the nature of π-π interactions in …
EG Hohenstein, CD Sherrill
The Journal of Chemical Physics 132 (18), 184111, 2010
1982010
Tensor hypercontraction density fitting. I. Quartic scaling second-and third-order Mřller-Plesset perturbation theory
EG Hohenstein, RM Parrish, TJ Martínez
The Journal of chemical physics 137 (4), 044103, 2012
1672012
Density fitting of intramonomer correlation effects in symmetry-adapted perturbation theory
EG Hohenstein, CD Sherrill
The Journal of chemical physics 133 (1), 014101, 2010
1622010
Improvement of the coupled-cluster singles and doubles method via scaling same-and opposite-spin components of the double excitation correlation energy
T Takatani, EG Hohenstein, CD Sherrill
The Journal of chemical physics 128 (12), 124111, 2008
1302008
Large-scale symmetry-adapted perturbation theory computations via density fitting and Laplace transformation techniques: Investigating the fundamental forces of DNA …
EG Hohenstein, RM Parrish, CD Sherrill, JM Turney, HF Schaefer III
The Journal of chemical physics 135 (17), 174107, 2011
1242011
Origin of the surprising enhancement of electrostatic energies by electron-donating substituents in substituted sandwich benzene dimers
EG Hohenstein, J Duan, CD Sherrill
Journal of the American Chemical Society 133 (34), 13244-13247, 2011
1192011
Assessment of standard force field models against high‐quality ab initio potential curves for prototypes of π–π, CH/π, and SH/π interactions
CD Sherrill, BG Sumpter, MO Sinnokrot, MS Marshall, EG Hohenstein, ...
Journal of computational chemistry 30 (14), 2187-2193, 2009
1182009
Tensor hypercontraction. II. Least-squares renormalization
RM Parrish, EG Hohenstein, TJ Martínez, CD Sherrill
The Journal of Chemical Physics 137 (22), 224106, 2012
1152012
Communication: Tensor hypercontraction. III. Least-squares tensor hypercontraction for the determination of correlated wavefunctions
EG Hohenstein, RM Parrish, CD Sherrill, TJ Martínez
The Journal of chemical physics 137 (22), 221101, 2012
1062012
Challenges of laser-cooling molecular ions
JHV Nguyen, CR Viteri, EG Hohenstein, CD Sherrill, KR Brown, B Odom
New Journal of Physics 13 (6), 063023, 2011
942011
Efficient evaluation of triple excitations in symmetry-adapted perturbation theory via second-order Mřller–Plesset perturbation theory natural orbitals
EG Hohenstein, CD Sherrill
The Journal of chemical physics 133 (10), 104107, 2010
892010
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