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Tyler Y. Takeshita
Tyler Y. Takeshita
Mercedes-Benz Research & Development North America, Inc
Verified email at illinois.edu
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Cited by
Cited by
Year
A deterministic alternative to the full configuration interaction quantum Monte Carlo method
NM Tubman, J Lee, TY Takeshita, M Head-Gordon, KB Whaley
The Journal of chemical physics 145 (4), 044112, 2016
2982016
Increasing the representation accuracy of quantum simulations of chemistry without extra quantum resources
T Takeshita, NC Rubin, Z Jiang, E Lee, R Babbush, JR McClean
arXiv preprint arXiv:1902.10679, 2019
1872019
Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development
DGA Smith, LA Burns, DA Sirianni, DR Nascimento, A Kumar, AM James, ...
Journal of chemical theory and computation 14 (7), 3504-3511, 2018
1392018
Insights into the Electronic Structure of Molecules from Generalized Valence Bond Theory
TH Dunning Jr, LT Xu, TY Takeshita, BA Lindquist
The Journal of Physical Chemistry A 120 (11), 1763-1778, 2016
512016
Why edge inversion? Theoretical characterization of the bonding in the transition states for inversion in F n NH (3− n) and FnPH (3− n)(n= 0–3)
LT Xu, TY Takeshita, TH Dunning Jr
Theoretical Chemistry Accounts 133 (7), 1-14, 2014
40*2014
Insights into the Electronic Structure of Ozone and Sulfur Dioxide from Generalized Valence Bond Theory: Bonding in O3 and SO2
TY Takeshita, BA Lindquist, TH Dunning Jr
The Journal of Physical Chemistry A 119 (28), 7683-7694, 2015
382015
Stochastic formulation of the resolution of identity: Application to second order Møller–Plesset perturbation theory
TY Takeshita, WA de Jong, D Neuhauser, R Baer, E Rabani
Journal of chemical theory and computation 13 (10), 4605-4610, 2017
372017
Bonding in Sulfur–Oxygen Compounds HSO/SOH and SOO/OSO: An Example of Recoupled Pair π Bonding
BA Lindquist, TY Takeshita, DE Woon, TH Dunning Jr
Journal of Chemical Theory and Computation 9 (10), 4444-4452, 2013
232013
Fundamental aspects of recoupled pair bonds. I. Recoupled pair bonds in carbon and sulfur monofluoride
TH Dunning Jr, LT Xu, TY Takeshita
The Journal of Chemical Physics 142 (3), 034113, 2015
212015
Fundamental aspects of recoupled pair bonds. II. Recoupled pair bond dyads in carbon and sulfur difluoride
TH Dunning Jr, TY Takeshita, LT Xu
The Journal of Chemical Physics 142 (3), 034114, 2015
172015
Generalized Valence Bond Description of Chalcogen–Nitrogen Compounds. II. NO, F (NO), and H (NO)
TY Takeshita, TH Dunning Jr
The Journal of Physical Chemistry A 119 (9), 1456-1463, 2015
132015
Stochastic resolution of identity second-order Matsubara Green’s function theory
TY Takeshita, W Dou, DGA Smith, WA de Jong, R Baer, D Neuhauser, ...
The Journal of chemical physics 151 (4), 044114, 2019
122019
Generalized Valence Bond Description of Chalcogen–Nitrogen Compounds. I. NS, F (NS), and H (NS)
TY Takeshita, TH Dunning Jr
The Journal of Physical Chemistry A 119 (9), 1446-1455, 2015
122015
Insights into the Electronic Structure of Ozone and Sulfur Dioxide from Generalized Valence Bond Theory: Addition of Hydrogen Atoms
BA Lindquist, TY Takeshita, TH Dunning Jr
The Journal of Physical Chemistry A 120 (17), 2720-2726, 2016
112016
Generalized Valence Bond Description of Chalcogen–Nitrogen Compounds. III. Why the NO–OH and NS–OH Bonds Are So Different
TY Takeshita, TH Dunning Jr
The Journal of Physical Chemistry A 120 (34), 6846-6850, 2016
72016
Fundamental Aspects of Recoupled Pair Bonds. III. The Frustrated Recoupled Pair Bond in Oxygen Monofluoride
TY Takeshita, TH Dunning Jr
The Journal of Physical Chemistry A 120 (48), 9607-9611, 2016
62016
Recoupled Pair Bonding: Unifying the Theory of Valence for the Main Group Elements
TH Dunning, DE Woon, LT Xu, TY Takeshita, BA Lindquist, J Leiding
Annual Reports in Computational Chemistry 12, 81-113, 2016
42016
Reply to “Comment on ‘Insights into the Electronic Structure of Ozone and Sulfur Dioxide from Generalized Valence Bond Theory: Bonding in O3 and SO2’”
TH Dunning Jr, TY Takeshita, BA Lindquist
The Journal of Physical Chemistry A 120 (1), 171-172, 2015
22015
Why edge inversion? Theoretical characterization of the bonding in the transition states for inversion in\ mathrm {F} _ {n}\ mathrm {NH} _ {(3-n)}\;\ mathrm {and}\;\ mathrm {F …
LT Xu, TY Takeshita, TH Dunning Jr
Isaiah Shavitt, 195-208, 2016
2016
Conformational energy gaps and scaling of conformer density in chain molecules
PL Walters, MB Prigozhin, TY Takeshita, L Xu, FM Olivarez, M Gruebele
Chemical Physics Letters 507 (1-3), 15-18, 2011
2011
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