Soumi Haldar

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achintya kumar duttaIndian institute of Technology BombayVerified email at chem.iitb.ac.in
Laura GagliardiUniversity of ChicagoVerified email at uchicago.edu
Abhishek MitraQuantum Solutions Computational Chemist, PsiQuantumVerified email at uchicago.edu
Giulia GalliLiew Family Professor of Molecular Engineering, Professor of Chemistry,University of ChicagoVerified email at uchicago.edu
Frank NeeseMax Planck Institute für KohlenforschungVerified email at kofo.mpg.de
Christoph RiplingerFAccTs GmbHVerified email at faccts.de
Róbert IzsákRiverlane Research LtdVerified email at riverlane.com
Madhubani MukherjeeGraduate student, University of Southern CaliforniaVerified email at usc.edu
Kaushik TalukdarAssistant Professor, Department of Chemistry, Bhattadev University, Assam, IndiaVerified email at iitb.ac.in

Soumi Haldar

Postdoctoral Fellow, University of Chicago

Verified email at uchicago.edu

Quantum Chemistry Electronic Structute Theory


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Multilayer approach to the IP-EOM-DLPNO-CCSD method: Theory, implementation, and application S Haldar, C Riplinger, B Demoulin, F Neese, R Izsak, AK Dutta Journal of Chemical Theory and Computation 15 (4), 2265-2277, 2019	28	2019
Local excitations of a charged nitrogen vacancy in diamond with multireference density matrix embedding theory S Haldar, A Mitra, MR Hermes, L Gagliardi The Journal of Physical Chemistry Letters 14 (18), 4273-4280, 2023	17	2023
Optical properties of neutral F centers in bulk MgO with density matrix embedding S Verma, A Mitra, Y Jin, S Haldar, C Vorwerk, MR Hermes, G Galli, ... The Journal of Physical Chemistry Letters 14 (34), 7703-7710, 2023	14	2023
A multilayer approach to the equation of motion coupled-cluster method for the electron affinity S Haldar, AK Dutta The Journal of Physical Chemistry A 124 (19), 3947-3962, 2020	13	2020
An efficient Fock space multi-reference coupled cluster method based on natural orbitals: Theory, implementation, and benchmark S Haldar, AK Dutta The Journal of Chemical Physics Facebook SUBMIT YOUR ARTICLE 155 (1), 014105, 2021	6	2021
Solvation effect on the vertical ionization energy of adenine‐thymine base pair: From microhydration to bulk M Mukherjee, S Haldar, AK Dutta International Journal of Quantum Chemistry 120 (6), e26127, 2020	6	2020
Molecular frame dipole moment of diatomic molecules within relativistic coupled‐cluster framework: A comparative study of expectation value versus energy derivative approach S Haldar, K Talukdar, MK Nayak, S Pal International Journal of Quantum Chemistry 121 (20), e26764, 2021	3	2021
A similarity transformed second-order approximate coupled cluster method for the excited states: Theory, implementation, and benchmark S Haldar, T Mukhopadhyay, AK Dutta The Journal of Chemical Physics 156 (1), 2022	2	2022
Quantum Embedding Methods to investigate oxygen vacancies in Bulk MgO S Verma, C Vorwerk, A Mitra, S Haldar, G Galli, L Gagliardi, NA Team APS March Meeting Abstracts 2023, A60. 010, 2023		2023

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