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Romit Chakraborty
Romit Chakraborty
Verified email at berkeley.edu
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Cited by
Cited by
Year
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), 084801, 2021
1832021
Generalized Pauli conditions on the spectra of one-electron reduced density matrices of atoms and molecules
R Chakraborty, DA Mazziotti
Physical Review A 89 (4), 042505, 2014
512014
Ambient-temperature hydrogen storage via vanadium (II)-dihydrogen complexation in a metal–organic framework
DE Jaramillo, HZH Jiang, HA Evans, R Chakraborty, H Furukawa, ...
Journal of the American Chemical Society 143 (16), 6248-6256, 2021
352021
Sufficient condition for the openness of a many-electron quantum system from the violation of a generalized Pauli exclusion principle
R Chakraborty, DA Mazziotti
Physical Review A 91 (1), 010101, 2015
292015
Structure of the one‐electron reduced density matrix from the generalized P auli exclusion principle
R Chakraborty, DA Mazziotti
International Journal of Quantum Chemistry 115 (19), 1305-1310, 2015
222015
Role of the generalized Pauli constraints in the quantum chemistry of excited states
R Chakraborty, DA Mazziotti
International Journal of Quantum Chemistry 116 (10), 784-790, 2016
142016
Quantum Chemical Modeling of Pressure‐Induced Spin Crossover in Octahedral Metal‐Ligand Complexes
T Stauch, R Chakraborty, M Head‐Gordon
ChemPhysChem 20 (21), 2742-2747, 2019
112019
Noise-assisted energy transfer from the dilation of the set of one-electron reduced density matrices
R Chakraborty, DA Mazziotti
The Journal of Chemical Physics 146 (18), 184101, 2017
112017
Observation of an Intermediate to H2 Binding in a Metal–Organic Framework
BR Barnett, HA Evans, GM Su, HZH Jiang, R Chakraborty, D Banyeretse, ...
Journal of the American Chemical Society 143 (36), 14884-14894, 2021
82021
Sparsity of the wavefunction from the generalized Pauli exclusion principle
R Chakraborty, DA Mazziotti
The Journal of chemical physics 148 (5), 054106, 2018
72018
Variational aspects of the Klein–Gordon equation
SN Datta, A Ghosh, R Chakraborty
Indian Journal of Physics 89 (2), 181-187, 2015
32015
Prediction of Multiple Hydrogen Ligation at a Vanadium(II) Site in a Metal-Organic Framework
R Chakraborty, KM Carsch, D Jaramillo, Y Yabuuchi, H Furukawa, ...
ChemRxiv, 2022
2022
One-Electron Theories From the Generalized Pauli Exclusion Principle
R Chakraborty
The University of Chicago, 2017
2017
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Articles 1–13