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Soumi Haldar - Publications

Affiliations: 
Indian Institute of Technology Bombay, Mumbai, Maharashtra, India 
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7 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Verma S, Mitra A, Jin Y, Haldar S, Vorwerk C, Hermes MR, Galli G, Gagliardi L. Optical Properties of Neutral F Centers in Bulk MgO with Density Matrix Embedding. The Journal of Physical Chemistry Letters. 7703-7710. PMID 37606586 DOI: 10.1021/acs.jpclett.3c01875  0.347
2023 Haldar S, Mitra A, Hermes MR, Gagliardi L. Local Excitations of a Charged Nitrogen Vacancy in Diamond with Multireference Density Matrix Embedding Theory. The Journal of Physical Chemistry Letters. 14: 4273-4280. PMID 37126760 DOI: 10.1021/acs.jpclett.3c00551  0.406
2022 Haldar S, Mukhopadhyay T, Dutta AK. A similarity transformed second-order approximate coupled cluster method for the excited states: Theory, implementation, and benchmark. The Journal of Chemical Physics. 156: 014110. PMID 34998329 DOI: 10.1063/5.0064889  0.525
2021 Haldar S, Dutta AK. An efficient Fock space multi-reference coupled cluster method based on natural orbitals: Theory, implementation, and benchmark. The Journal of Chemical Physics. 155: 014105. PMID 34241374 DOI: 10.1063/5.0054171  0.605
2020 Haldar S, Dutta AK. A Multi-Layer Approach to the Equation of Motion Coupled-Cluster Method for the Electron Affinity. The Journal of Physical Chemistry. A. PMID 32306726 DOI: 10.1021/Acs.Jpca.0C01793  0.569
2019 Haldar S, Riplinger C, Demoulin B, Neese F, Izsak R, Dutta AK. A Multi-layer approach to IP-EOM-DLPNO-CCSD Method: Theory, Implementation and Application. Journal of Chemical Theory and Computation. PMID 30860835 DOI: 10.1021/Acs.Jctc.8B01263  0.534
2019 Mukherjee M, Haldar S, Dutta AK. Solvation effect on the vertical ionization energy of adenine‐thymine base pair: From microhydration to bulk International Journal of Quantum Chemistry. 120. DOI: 10.1002/Qua.26127  0.469
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