| 1 |
Many-Body Quantum Chemistry on Massively Parallel Computers
Calvin JA, Peng C, Rishi V, Kumar A, Valeev EF
Chemical Reviews, 121(3), 1203, 2021 |
| 2 |
Combined Relativistic Ab Initio Multireference and Experimental Study of the Electronic Structure of Terbium Luminescent Compound
Wang CX, Li Y, Li ZF, Liu ZJ, Valeev EF, Moskaleva LV
Journal of Physical Chemistry A, 124(1), 82, 2020 |
| 3 |
Massively Parallel Implementation of Explicitly Correlated Coupled-Cluster Singles and Doubles Using TiledArray Framework
Peng C, Calvin JA, Pavosevic F, Zhang JM, Valeev EF
Journal of Physical Chemistry A, 120(51), 10231, 2016 |
| 4 |
Explicitly Correlated R12/F12 Methods for Electronic Structure
Kong LG, Bischoff FA, Valeev EF
Chemical Reviews, 112(1), 75, 2012 |
| 5 |
Computation of precise two-electron correlation energies with imprecise Hartree-Fock orbitals
Valeev EF
Chemical Physics Letters, 418(4-6), 333, 2006 |
| 6 |
Effect of electronic polarization on charge-transport parameters in molecular organic semiconductors
Valeev EF, Coropceanu V, da Silva DA, Salman S, Bredas JL
Journal of the American Chemical Society, 128(30), 9882, 2006 |
| 7 |
Improving on the resolution of the identity in linear R12 ab initio theories
Valeev EF
Chemical Physics Letters, 395(4-6), 190, 2004 |
| 8 |
Second-order Moller-Plesset theory with linear R12 terms (MP2-R12) revisited: Auxiliary basis set method and massively parallel implementation
Valeev EF, Janssen CL
Journal of Chemical Physics, 121(3), 1214, 2004 |
| 9 |
HEAT: High accuracy extrapolated ab initio thermochemistry
Tajti A, Szalay PG, Csaszar AG, Kallay M, Gauss J, Valeev EF, Flowers BA, Vazquez J, Stanton JF
Journal of Chemical Physics, 121(23), 11599, 2004 |
| 10 |
A comparison of one-particle basis set completeness, higher-order electron correlation, relativistic effects, and adiabatic corrections for spectroscopic constants of BH, CH+, and NW
Temelso B, Valeev EF, Sherrill CD
Journal of Physical Chemistry A, 108(15), 3068, 2004 |
