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Fabijan Pavosevic
Fabijan Pavosevic
Postdoctoral Associate in Chemistry
在 yale.edu 的电子邮件经过验证
标题
引用次数
引用次数
年份
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of chemical physics 155 (8), 2021
6962021
SparseMaps—A systematic infrastructure for reduced scaling electronic structure methods. V. Linear scaling explicitly correlated coupled-cluster method with pair natural orbitals
F Pavošević, C Peng, P Pinski, C Riplinger, F Neese, EF Valeev
The Journal of chemical physics 146 (17), 2017
1522017
SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. IV. Linear-scaling second-order explicitly correlated energy with pair natural orbitals
F Pavošević, P Pinski, C Riplinger, F Neese, EF Valeev
The Journal of Chemical Physics 144 (14), 2016
1262016
Multicomponent quantum chemistry: Integrating electronic and nuclear quantum effects via the nuclear–electronic orbital method
F Pavošević, T Culpitt, S Hammes-Schiffer
Chemical reviews 120 (9), 4222-4253, 2020
1152020
Multicomponent coupled cluster singles and doubles theory within the nuclear-electronic orbital framework
F Pavošević, T Culpitt, S Hammes-Schiffer
Journal of chemical theory and computation 15 (1), 338-347, 2018
722018
Massively parallel implementation of explicitly correlated coupled-cluster singles and doubles using TiledArray framework
C Peng, JA Calvin, F Pavosevic, J Zhang, EF Valeev
The Journal of Physical Chemistry A 120 (51), 10231-10244, 2016
692016
Development of nuclear basis sets for multicomponent quantum chemistry methods
Q Yu, F Pavošević, S Hammes-Schiffer
The Journal of Chemical Physics 152 (24), 2020
612020
Real-time time-dependent nuclear− electronic orbital approach: dynamics beyond the Born–Oppenheimer approximation
L Zhao, Z Tao, F Pavošević, A Wildman, S Hammes-Schiffer, X Li
The Journal of Physical Chemistry Letters 11 (10), 4052-4058, 2020
612020
Geminal-spanning orbitals make explicitly correlated reduced-scaling coupled-cluster methods robust, yet simple
F Pavošević, F Neese, EF Valeev
The Journal of chemical physics 141 (5), 2014
532014
Cavity-modulated proton transfer reactions
F Pavošević, S Hammes-Schiffer, A Rubio, J Flick
Journal of the American Chemical Society 144 (11), 4995-5002, 2022
442022
Polaritonic unitary coupled cluster for quantum computations
F Pavosevic, J Flick
The Journal of Physical Chemistry Letters 12 (37), 9100-9107, 2021
442021
Multicomponent orbital-optimized perturbation theory methods: Approaching coupled cluster accuracy at lower cost
F Pavošević, BJG Rousseau, S Hammes-Schiffer
The Journal of Physical Chemistry Letters 11 (4), 1578-1583, 2020
412020
Multicomponent equation-of-motion coupled cluster singles and doubles: Theory and calculation of excitation energies for positronium hydride
F Pavošević, S Hammes-Schiffer
The Journal of Chemical Physics 150 (16), 2019
382019
Excited state intramolecular proton transfer with nuclear-electronic orbital Ehrenfest dynamics
L Zhao, A Wildman, F Pavosevic, JC Tully, S Hammes-Schiffer, X Li
The journal of physical chemistry letters 12 (14), 3497-3502, 2021
352021
Enhancing the applicability of multicomponent time-dependent density functional theory
T Culpitt, Y Yang, F Pavošević, Z Tao, S Hammes-Schiffer
The Journal of Chemical Physics 150 (20), 2019
332019
Quantum embedding method for the simulation of strongly correlated systems on quantum computers
M Rossmannek, F Pavosevic, A Rubio, I Tavernelli
The Journal of Physical Chemistry Letters 14 (14), 3491-3497, 2023
312023
Molecular vibrational frequencies within the nuclear–electronic orbital framework
Y Yang, PE Schneider, T Culpitt, F Pavošević, S Hammes-Schiffer
The Journal of Physical Chemistry Letters 10 (6), 1167-1172, 2019
302019
Massively Parallel Quantum Chemistry: A high-performance research platform for electronic structure
C Peng, CA Lewis, X Wang, MC Clement, K Pierce, V Rishi, F Pavošević, ...
The Journal of Chemical Physics 153 (4), 2020
292020
Multicomponent coupled cluster singles and doubles and Brueckner doubles methods: Proton densities and energies
F Pavošević, S Hammes-Schiffer
The Journal of Chemical Physics 151 (7), 2019
292019
Multicomponent unitary coupled cluster and equation-of-motion for quantum computation
F Pavosevic, S Hammes-Schiffer
Journal of Chemical Theory and Computation 17 (6), 3252-3258, 2021
282021
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