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Theoretical and Computational Chemistry

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Wave-function analysis

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3 results in Keywords: Wave-function analysis

Theoretical and Computational Chemistry

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

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

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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