Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Dibyajyoti Chakravarti"'
Autor:
Nishanth Baskaran, Abhishek Singh Rawat, Akshaya Jayashankar, Dibyajyoti Chakravarti, K. Sugisaki, Shibdas Roy, Sudhindu Bikash Mandal, D. Mukherjee, V. S. Prasannaa
Publikováno v:
Physical Review Research, Vol 5, Iss 4, p 043113 (2023)
Rapid progress in developing near- and long-term quantum algorithms for quantum chemistry has provided us with an impetus to move beyond traditional approaches and explore new ways to apply quantum computing to electronic structure calculations. In t
Externí odkaz:
https://doaj.org/article/fa88d318c9c74d7ba97ae8c73f9464b4
Publikováno v:
Molecular Physics. 119
The Unitary Group Adapted Open Shell Coupled Cluster (UGA-OSCC) theory, which is the single reference CSF limit of the UGA-State Universal Multireference CC (UGA-SUMRCC) formulation by Mukherjee et...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::df455892844901c1d5f037435fe4199f
https://doi.org/10.1080/00268976.2021.1979676
https://doi.org/10.1080/00268976.2021.1979676
The Unitary Group Adapted State-Specific Multi-Reference Perturbation Theory (UGA-SSMRPT2) developed by Mukherjee et al [J. Comput. Chem. 2015, 36, 670] has successfully realized the goal of studying bond dissociation in a numerically stable, spin-pr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a90557a3418daf7f2c5927d4174deb4f
http://arxiv.org/abs/2010.11471
http://arxiv.org/abs/2010.11471
