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Theoretical and Computational Chemistry

Working Paper

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

423

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Theoretical and Computational Chemistry

Working Paper

Permanent electric dipole moment of diatomic molecules using relativistic extended-coupled-cluster method

Haimyapriya Buragohain, Kaushik Talukdar, Malaya K. Nayak

Version 1 posted 05 December 2023

153

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Theoretical and Computational Chemistry

Working Paper

Relativistic coupled-cluster study of SrF for low-energy precision tests of fundamental physics

Kaushik Talukdar, Haimyapriya Buragohain, Malaya K. Nayak, Nayana Vaval, Sourav Pal

Version 1 posted 13 December 2022

214

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Theoretical and Computational Chemistry

Working Paper

Relativistic extended-coupled-cluster calculations of P, T -odd sensitivity parameters for diatomic molecules

Kaushik Talukdar, Malaya K. Nayak, Nayana Vaval, Sourav Pal

Version 1 posted 05 May 2025

58

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Chemical Education

Review

Exploring Computational Chemistry with ChemCompute

Haimyapriya Buragohain, Kaushik Talukdar

Version 1 posted 30 November 2023

1,093

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Theoretical and Computational Chemistry

Working Paper

Intermolecular Interactions of Nitrogen-Substituted Chalcogen Heterocycles: From Electron Density to Binding Energy Landscapes

Haimyapriya Buragohain, Ramesh C. Deka, Kaushik Talukdar

Version 1 posted 27 May 2025

55

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Theoretical and Computational Chemistry

Working Paper

THEORETICAL INSIGHTS INTO CHALCOGEN BONDING ASSISTED ANION RECOGNITION

Haimyapriya Buragohain, Ramesh C. Deka, Kaushik Talukdar

Version 1 posted 25 March 2025

76

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Theoretical and Computational Chemistry

Working Paper

Spectroscopic Properties of SrH from Relativistic Coupled-Cluster Calculations

Kaushik Talukdar, Malaya K. Nayak, Sourav Pal

Version 2 posted 29 April 2025

156

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8 results in Kaushik Talukdar in Authors: Kaushik Talukdar

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

Permanent electric dipole moment of diatomic molecules using relativistic extended-coupled-cluster method

Relativistic coupled-cluster study of SrF for low-energy precision tests of fundamental physics

Relativistic extended-coupled-cluster calculations of P, T -odd sensitivity parameters for diatomic molecules

Exploring Computational Chemistry with ChemCompute

Intermolecular Interactions of Nitrogen-Substituted Chalcogen Heterocycles: From Electron Density to Binding Energy Landscapes

THEORETICAL INSIGHTS INTO CHALCOGEN BONDING ASSISTED ANION RECOGNITION

Spectroscopic Properties of SrH from Relativistic Coupled-Cluster Calculations

8 results in Authors: Kaushik Talukdar