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Athavale, Vishikh
18  results:
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1

Surface hopping, electron translation factors, electron rot..:

Athavale, Vishikh ; Bian, Xuezhi ; Tao, Zhen...
The Journal of Chemical Physics.  159 (2023)  11 - p. , 2023
Link: https://doi.org/10.1063/..
 
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2

To guess or not to guess excited state amplitudes during op..:

Cofer-Shabica, D. Vale ; Athavale, Vishikh ; Subotnik, Joseph E.
The Journal of Chemical Physics.  159 (2023)  12 - p. , 2023
Link: https://doi.org/10.1063/..
 
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3

Analytical gradients and derivative couplings for the TDDFT..:

Athavale, Vishikh ; Teh, Hung-Hsuan ; Shao, Yihan.
The Journal of Chemical Physics.  157 (2022)  24 - p. , 2022
Link: https://doi.org/10.1063/..
 
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4

Methods to Calculate Electronic Excited-State Dynamics for ..:

Chen, Hsing-Ta ; Chen, Junhan ; Cofer-Shabica, D. Vale...
Journal of Chemical Theory and Computation.  18 (2022)  6 - p. 3296-3307 , 2022
Link: https://doi.org/10.1021/..
 
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5

On the inclusion of one double within CIS and TDDFT:

Athavale, Vishikh ; Teh, Hung-Hsuan ; Subotnik, Joseph E.
The Journal of Chemical Physics.  155 (2021)  15 - p. , 2021
Link: https://doi.org/10.1063/..
 
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6

Anharmonic effects in the low-frequency vibrational modes o..:

Raimbault, Nathaniel ; Athavale, Vishikh ; Rossi, Mariana
Physical Review Materials.  3 (2019)  5 - p. , 2019
Link: https://doi.org/10.1103/..
 
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7

Solution structural features of N -acyl homoserine lactones:

Tumminakatti, Shama ; Khatri, Bhavesh ; Krishnamurti, Vinayak..
Tetrahedron Letters.  56 (2015)  42 - p. 5771-5775 , 2015
Link: https://doi.org/10.1016/..
 
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8

Surface Hopping, Electron Translation Factors, Electron Rot..:

Athavale, Vishikh ; Bian, Xuezhi ; Tao, Zhen...
http://arxiv.org/abs/2308.14621.  , 2023
Link: http://arxiv.org/abs/230..
 
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9

Methods to Calculate Electronic Excited-State Dynamics for ..:

Chen, Hsing Ta ; Chen, Junhan ; Cofer-Shabica, D. Vale...
https://research.rug.nl/en/publications/e50ef6bd-7fd2-41b7-9c79-f5a69bc11885.  , 2022
Link: https://hdl.handle.net/1..
 
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10

Methods to Calculate Electronic Excited-State Dynamics for ..:

Chen, Hsing-Ta ; Chen, Junhan ; Cofer-Shabica, D. Vale...
https://doi.org/10.26434/chemrxiv-2021-t433b.  , 2022
Link: https://doi.org/10.1021/..
 
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11

Software for the frontiers of quantum chemistry:An overview..:

Epifanovsky, Evgeny ; Gilbert, Andrew T B ; Feng, Xintian...
https://research.rug.nl/en/publications/e8660781-79b4-4f4e-92e0-2dd90c54183b.  , 2021
Link: https://hdl.handle.net/1..
 
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12

Software for the frontiers of quantum chemistry: An overvie..:

Epifanovsky, Evgeny ; Gilbert, Andrew T. B ; Feng, Xintian...
https://doi.org/10.1063/5.0055522.  , 2021
Link: https://doi.org/10.1063/..
 
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13

Software for the frontiers of quantum chemistry: An overvie..:

Epifanovsky, Evgeny ; Gilbert, Andrew T. B ; Feng, Xintian...
https://zenodo.org/record/5484917.  , 2021
Link: https://zenodo.org/recor..
 
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14

On The Inclusion of One Double Within CIS and TD-DFT:

Athavale, Vishikh ; Teh, Hung-Hsuan ; Subotnik, Joseph
http://arxiv.org/abs/2104.07154.  , 2021
Link: http://arxiv.org/abs/210..
 
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15

Software for the frontiers of quantum chemistry: An overvie..:

Epifanovsky, Evgeny ; Gilbert, Andrew T. B ; Feng, Xintian...
https://nottingham-repository.worktribe.com/output/6395203.  , 2021
Link: https://doi.org/10.1063/..
 
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