E-LIB Suche - Ergebnisse für: Banerjee, Samragni

1

Dirac–Coulomb–Breit Molecular Mean-Field Exact-Two-Componen..:

Zhang, Tianyuan ; Banerjee, Samragni ; Koulias, Lauren N....
The Journal of Physical Chemistry A. 128 (2024) 17 - p. 3408-3418 , 2024

Link: https://doi.org/10.1021/..

2

Algebraic Diagrammatic Construction Theory for Simulating C..:

Banerjee, Samragni ; Sokolov, Alexander Yu.
Journal of Chemical Theory and Computation. 19 (2023) 11 - p. 3037-3053 , 2023

Link: https://doi.org/10.1021/..

3

Relativistic resolution-of-the-identity with Cholesky integ..:

Banerjee, Samragni ; Zhang, Tianyuan ; Dyall, Kenneth G..
The Journal of Chemical Physics. 159 (2023) 11 - p. , 2023

Link: https://doi.org/10.1063/..

4

Erratum: "Third-order algebraic diagrammatic construction t..:

Banerjee, Samragni ; Sokolov, Alexander Yu.
The Journal of Chemical Physics. 158 (2023) 13 - p. 139901 , 2023

Link: https://doi.org/10.1063/..

5

Electrochemical Strategy for Proton Relay Installation Enha..:

Lin, Shaoyang ; Banerjee, Samragni ; Fortunato, Matthew T....
Journal of the American Chemical Society. 144 (2022) 44 - p. 20267-20277 , 2022

Link: https://doi.org/10.1021/..

6

Non-Dyson Algebraic Diagrammatic Construction Theory for Ch..:

Banerjee, Samragni ; Sokolov, Alexander Yu.
Journal of Chemical Theory and Computation. 18 (2022) 9 - p. 5337-5348 , 2022

Link: https://doi.org/10.1021/..

7

Quantifying and reducing spin contamination in algebraic di..:

Stahl, Terrence L. ; Banerjee, Samragni ; Sokolov, Alexander Yu.
The Journal of Chemical Physics. 157 (2022) 4 - p. , 2022

Link: https://doi.org/10.1063/..

8

Efficient implementation of the single-reference algebraic ..:

Banerjee, Samragni ; Sokolov, Alexander Yu.
The Journal of Chemical Physics. 154 (2021) 7 - p. , 2021

Link: https://doi.org/10.1063/..

9

Recent developments in the PySCF program package:

Sun, Qiming ; Zhang, Xing ; Banerjee, Samragni...
The Journal of Chemical Physics. 153 (2020) 2 - p. , 2020

Link: https://doi.org/10.1063/..

10

Third-order algebraic diagrammatic construction theory for ..:

Banerjee, Samragni ; Sokolov, Alexander Yu.
The Journal of Chemical Physics. 151 (2019) 22 - p. , 2019

Link: https://doi.org/10.1063/..

11

Algebraic Diagrammatic Construction Theory for Simulating C..:

Banerjee, Samragni ; Sokolov, Alexander Yu
http://arxiv.org/abs/2303.02856. , 2023

Link: http://arxiv.org/abs/230..

12

Quantifying and reducing spin contamination in algebraic di..:

Stahl, Terrence L ; Banerjee, Samragni ; Sokolov, Alexander Yu
http://arxiv.org/abs/2204.13164. , 2022

Link: http://arxiv.org/abs/220..

13

Non-Dyson Algebraic Diagrammatic Construction Theory for Ch..:

Banerjee, Samragni ; Sokolov, Alexander Yu
http://arxiv.org/abs/2205.14763. , 2022

Link: http://arxiv.org/abs/220..

14

Recent developments in the PySCF program package:

Sun, Qiming ; Zhang, Xing ; Banerjee, Samragni...
10.1063/5.0006074. , 2021

Link: http://hdl.handle.net/10..

15

Recent developments in the PySCF program package:

Sun, Qiming ; Zhang, Xing ; Banerjee, Samragni...
http://arxiv.org/abs/2002.12531. , 2020

Link: http://arxiv.org/abs/200..