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11 results in Keywords: response theory

Theoretical and Computational Chemistry

Working Paper

Complex Excited State Polarizabilities in the ADC/ISR Framework

Maximilian Scheurer, Thomas Fransson, Patrick Norman, Andreas Dreuw, Dirk R. Rehn

Version 2 posted 14 May 2020

587

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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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Theoretical and Computational Chemistry

Working Paper

An efficient protocol for computing MCD spectra in a broad frequency range combining resonant and damped CC2 quadratic response theory

Josefine H. Andersen, Sonia Coriani, Christof Hättig

Version 1 posted 24 May 2023

139

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Citations

Theoretical and Computational Chemistry

Working Paper

Tailored anharmonic potential energy surfaces for infrared signatures

Janine Hellmers, Pascal Czember, Carolin König

Version 3 posted 07 November 2024

156

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Physical Chemistry

Working Paper

Degenerate and Non-Degenerate Two-Photon Absorption of Coumarin Dyes

Ismael A. Elayan, Alex Brown

Version 2 posted 09 February 2023

330

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Physical Chemistry

Working Paper

Non-Degenerate Two-Photon Absorption of Fluorescent Protein Chromophores

Ismael A. Elayan, Alex Brown

Version 1 posted 26 December 2023

117

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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

Gauge Dependence of the S Molecular Orbital Space Decomposition of Optical Rotation

Ty Balduf, Marco Caricato

Version 1 posted 29 October 2020

269

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Theoretical and Computational Chemistry

Working Paper

Insights into localization, energy ordering, and substituent effect in excited states of azobenzenes from coupled cluster calculations of nuclear spin-induced circular dichroism

Josefine Hvarregaard Andersen, Christof Hättig, Sonia Coriani, Petr Stepanek

Version 1 posted 31 May 2023

101

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Theoretical and Computational Chemistry

Working Paper

Origin Invariant Molecular Orbital Decomposition of Optical Rotation

Ty Balduf, Marco Caricato

Version 2 posted 06 December 2022

125

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11 results in response theory in Keywords: response theory

Complex Excited State Polarizabilities in the ADC/ISR Framework

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

An efficient protocol for computing MCD spectra in a broad frequency range combining resonant and damped CC2 quadratic response theory

Tailored anharmonic potential energy surfaces for infrared signatures

Degenerate and Non-Degenerate Two-Photon Absorption of Coumarin Dyes

Non-Degenerate Two-Photon Absorption of Fluorescent Protein Chromophores

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

Gauge Dependence of the S Molecular Orbital Space Decomposition of Optical Rotation

Insights into localization, energy ordering, and substituent effect in excited states of azobenzenes from coupled cluster calculations of nuclear spin-induced circular dichroism

Origin Invariant Molecular Orbital Decomposition of Optical Rotation

11 results in Keywords: response theory