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Pradipta Kumar Samanta
Pradipta Kumar Samanta
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NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods
K Guther, RJ Anderson, NS Blunt, NA Bogdanov, D Cleland, N Dattani, ...
The Journal of chemical physics 153 (3), 2020
812020
Quantum tunneling during interstellar surface-catalyzed formation of water: the reaction H+ H 2 O 2→ H 2 O+ OH
T Lamberts, PK Samanta, A Köhn, J Kästner
Physical Chemistry Chemical Physics 18 (48), 33021-33030, 2016
512016
Excited states with internally contracted multireference coupled-cluster linear response theory
PK Samanta, D Mukherjee, M Hanauer, A Köhn
The Journal of Chemical Physics 140 (13), 2014
462014
Unitary group adapted state specific multireference perturbation theory: Formulation and pilot applications
A Sen, S Sen, PK Samanta, D Mukherjee
Journal of computational chemistry 36 (9), 670-688, 2015
202015
First-order properties from internally contracted multireference coupled-cluster theory with particular focus on hyperfine coupling tensors
PK Samanta, A Köhn
Journal of Chemical Physics 149 (6), 064101, 2018
122018
Response formalism within full configuration interaction quantum Monte Carlo: Static properties and electrical response
PK Samanta, NS Blunt, GH Booth
Journal of chemical theory and computation 14 (7), 3532-3546, 2018
102018
Excitation energies and response properties of molecules using internally contracted multireference coupled cluster methods
PK Samanta
http://elib.uni-stuttgart.de/handle/11682/9662, 2017
2017
This journal is© the Owner Societies 2016
T Lamberts, PK Samanta, A Köhn, J Kästner
El sistema no puede realizar la operación en estos momentos. Inténtalo de nuevo más tarde.
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