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Physical Chemistry

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Theoretical and Computational Chemistry

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Soumi Haldar

4 results in Authors: Soumi Haldar

Physical Chemistry

Local Excitations of a Charged Nitrogen Vacancy in Diamond with Multireference Density Matrix Embedding Theory

Soumi Haldar, Abhishek Mitra, Matthew R. Hermes, Laura Gagliardi

Version 1 posted 28 February 2023

357

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Theoretical and Computational Chemistry

Optical Properties of Neutral F Centers in Bulk MgO with Density Matrix Embedding

Shreya Verma, Abhishek Mitra, Yu Jin, Soumi Haldar, Christian Vorwerk, Matthew R. Hermes, Giulia Galli, Laura Gagliardi

Version 1 posted 07 July 2023

329

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Theoretical and Computational Chemistry

A Multi-Layer Approach to the Equation of Motion Coupled-Cluster Method for the Electron Affinity

Soumi Haldar, Achintya Kumar Dutta

Version 1 posted 17 February 2020

358

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Theoretical and Computational Chemistry

Molecular Frame Dipole Moment of Diatomic Molecules within Relativistic Coupled-Cluster Framework: A Comparative Study of Expectation Value vs. Energy Derivative Approach

Soumi Haldar, Kaushik Talukdar, Malaya K Nayak, Sourav Pal

Version 1 posted 03 December 2020

365

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