Benchmarks for Electronically Excited States: CASPT2, CC2, CCSD, and CC3

Journal of Chemical Physics - United States
doi 10.1063/1.2889385
Full Text
Abstract

Available in full text

Date
Authors
Publisher

AIP Publishing

Related search

Benchmarks for Electronically Excited States: Time-Dependent Density Functional Theory and Density Functional Theory Based Multireference Configuration Interaction

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2008English

Electronically Excited and Ionized States of the CH2CH2OH Radical: A Theoretical Study

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2010English

Local CC2 Response Method Based on the Laplace Transform: Analytic Energy Gradients for Ground and Excited States

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2014English

Correction to Spin-Free CC2 Implementation of Induced Transitions Between Singlet Ground and Triplet Excited States

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2017English

Implementation of Analytic Gradients for CCSD and EOM-CCSD Using Cholesky Decomposition of the Electron-Repulsion Integrals and Their Derivatives: Theory and Benchmarks

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2019English

Magnetoassociation of a Feshbach Molecule and Spin-Orbit Interaction Between the Ground and Electronically Excited States

Physical Review A
OpticsAtomicMolecular Physics,
2017English

Frontispiece: Light on the Structural Evolution of Photoresponsive Molecular Switches in Electronically Excited States

Chemistry - A European Journal
Organic ChemistryCatalysisChemistry
2019English

Theoretical Study of the Π → Π* Excited States of Oligoacenes: A Full Π-Valence DMRG-CASPT2 Study

Bulletin of the Chemical Society of Japan
Chemistry
2014English

Electronically Excited Rubidium Atom in Helium Clusters and Films. II. Second Excited State and Absorption Spectrum

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2011English

Amanote Research

Note-taking for researchers

Follow Amanote

© 2024 Amaplex Software S.P.R.L. All rights reserved.

Privacy PolicyRefund Policy