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11 results in Authors: Kaushik Nanda

Theoretical and Computational Chemistry

Working Paper

Cherrypicking Resolvents: A General Strategy for Convergent Coupled-Cluster Damped Response Calculations of Core-Level Spectra

Kaushik Nanda, Anna Krylov

Version 1 posted 06 July 2020

252

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Physical Chemistry

Working Paper

The Pole Structure of the Dynamical Polarizability Tensor in Equation-of-Motion Coupled-Cluster Theory

Kaushik Nanda, Anna Krylov, Jürgen Gauss

Version 1 posted 27 August 2018

358

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Theoretical and Computational Chemistry

Working Paper

Theory, implementation, and disappointing results for two-photon absorption cross sections within the doubly electron-attached equation-of-motion coupled-cluster framework

Kaushik Nanda, Sahil Gulania, Anna Krylov

Version 1 posted 16 November 2022

163

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Theoretical and Computational Chemistry

Working Paper

Two- and one-photon absorption spectra of aqueous thiocyanate anion highlight the role of symmetry in condensed phase

Ronit Sarangi, Kaushik Nanda, Anna I. Krylov

Version 1 posted 27 September 2023

147

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Theoretical and Computational Chemistry

Working Paper

The Effect of Polarizable Environment on Two-Photon Absorption Cross Sections Characterized by the Equation-of-Motion Coupled-Cluster Singles and Doubles Method Combined with the Effective Fragment Potential Approach

Kaushik Nanda, Anna Krylov

Version 1 posted 05 September 2018

461

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Theoretical and Computational Chemistry

Working Paper

The Orbital Picture of the First Dipole Hyperpolarizability from Many-Body Response Theory

Kaushik Nanda, Anna Krylov

Version 1 posted 03 March 2021

303

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Theoretical and Computational Chemistry

Working Paper

A Simple Molecular Orbital Picture of RIXS Distilled from Many-Body Damped Response Theory

Kaushik Nanda, Anna I. Krylov

Version 1 posted 10 April 2020

329

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Theoretical and Computational Chemistry

Working Paper

Cherry-picking resolvents: Recovering the valence contribution in X-ray two-photon absorption within the core--valence-separated equation-of-motion coupled-cluster response theory

Josefine Andersen, Kaushik Nanda, Anna Krylov, Sonia Coriani

Version 1 posted 30 May 2022

153

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Theoretical and Computational Chemistry

Working Paper

Probing Molecular Chirality of Ground and Electronically Excited States in the UV-vis and X-ray Regimes: An EOM-CCSD Study

Josefine Andersen, Kaushik D. Nanda, Anna I. Krylov, Sonia Coriani

Version 1 posted 20 September 2021

421

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Theoretical and Computational Chemistry

Working Paper

Charge-transfer-to-solvent states provide a sensitive spectroscopic probe of the local solvent structure around anions

Ronit Sarangi, Kaushik Nanda, Anna I. Krylov

Version 3 posted 19 October 2022

474

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11 results in Kaushik Nanda in Authors: Kaushik Nanda

Cherrypicking Resolvents: A General Strategy for Convergent Coupled-Cluster Damped Response Calculations of Core-Level Spectra

The Pole Structure of the Dynamical Polarizability Tensor in Equation-of-Motion Coupled-Cluster Theory

Theory, implementation, and disappointing results for two-photon absorption cross sections within the doubly electron-attached equation-of-motion coupled-cluster framework

Two- and one-photon absorption spectra of aqueous thiocyanate anion highlight the role of symmetry in condensed phase

The Effect of Polarizable Environment on Two-Photon Absorption Cross Sections Characterized by the Equation-of-Motion Coupled-Cluster Singles and Doubles Method Combined with the Effective Fragment Potential Approach

The Orbital Picture of the First Dipole Hyperpolarizability from Many-Body Response Theory

A Simple Molecular Orbital Picture of RIXS Distilled from Many-Body Damped Response Theory

Cherry-picking resolvents: Recovering the valence contribution in X-ray two-photon absorption within the core--valence-separated equation-of-motion coupled-cluster response theory

Probing Molecular Chirality of Ground and Electronically Excited States in the UV-vis and X-ray Regimes: An EOM-CCSD Study

Charge-transfer-to-solvent states provide a sensitive spectroscopic probe of the local solvent structure around anions

11 results in Authors: Kaushik Nanda