Edward F. Valeev, Ph.D.
Affiliations: | Chemistry | Virginia Polytechnic Institute and State University, Blacksburg, VA, United States |
Area:
computational chemistry, explicitly correlated methods, ab initio quantum chemistryWebsite:
http://www.chem.vt.edu/people/faculty/valeev-edward/index.htmlGoogle:
"edward valeev virginia tech"Mean distance: 8.92 | S | N | B | C | P |
Parents
Sign in to add mentor| Henry F. Schaefer, III | grad student | 1996-2000 | The University of Georgia |
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Publications
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| Wang Y, Guo Y, Neese F, et al. (2023) Cluster-in-Molecule Approach with Explicitly Correlated Methods for Large Molecules. Journal of Chemical Theory and Computation |
| Valeev EF, Harrison RJ, Holmes AA, et al. (2023) Direct Determination of Optimal Real-Space Orbitals for Correlated Electronic Structure of Molecules. Journal of Chemical Theory and Computation. 19: 7230-7241 |
| Wang X, Lewis CA, Valeev EF. (2020) Efficient evaluation of exact exchange for periodic systems via concentric atomic density fitting. The Journal of Chemical Physics. 153: 124116 |
| Kumar A, Neese F, Valeev EF. (2020) Explicitly correlated coupled cluster method for accurate treatment of open-shell molecules with hundreds of atoms. The Journal of Chemical Physics. 153: 094105 |
| Valeev EF, Shiozaki T. (2020) Comment on "A tight distance-dependent estimator for screening three-center Coulomb integrals over Gaussian basis functions" [J. Chem. Phys. 142, 154106 (2015)]. The Journal of Chemical Physics. 153: 097101 |
| Peng C, Lewis CA, Wang X, et al. (2020) Massively Parallel Quantum Chemistry: A high-performance research platform for electronic structure. The Journal of Chemical Physics. 153: 044120 |
| Kottmann JS, Bischoff FA, Valeev EF. (2020) Direct determination of optimal pair-natural orbitals in a real-space representation: The second-order Moller-Plesset energy. The Journal of Chemical Physics. 152: 074105 |
| Wang CX, Li Y, Li ZF, et al. (2019) A Combined Relativistic Ab Initio Multireference and Experimental Study of the Electronic Structure of Terbium Luminescent Compound. The Journal of Physical Chemistry. A |
| Teke NK, Pavošević F, Peng C, et al. (2019) Explicitly correlated renormalized second-order Green's function for accurate ionization potentials of closed-shell molecules. The Journal of Chemical Physics. 150: 214103 |
| Rishi V, Valeev EF. (2019) Can the distinguishable cluster approximation be improved systematically by including connected triples? The Journal of Chemical Physics. 151: 064102 |