Automatic Selection of an Active Space for Calculating Electronic Excitation Spectra by MS-CASPT2 or MC-PDFT

doi 10.1021/acs.jctc.8b00032.s001

Full Text

Abstract

Available in

Date

Unknown

Authors

Unknown

Publisher

American Chemical Society (ACS)

Related search

Automatic Active Space Selection for Calculating Electronic Excitation Energies Based on High-Spin Unrestricted HartreeFock Orbitals

English

Local Complete Active Space Second-Order Perturbation Theory Using Pair Natural Orbitals (PNO-CASPT2)

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2016English

The Eniac, an Electronic Calculating Machine

Nature
Multidisciplinary
1946English

An Electronic Excel-Calculator for Calculating Dental Crown Volumes

PRECARPATHIAN BULLETIN OF THE SHEVCHENKO SCIENTIFIC SOCIETY Pulse
2019English

Automatic Index Selection in RDBMS by Exploring Query Execution Plan Space

Studies in Computational Intelligence
Artificial Intelligence
2009English

An Existence Theorem for OR/MS

Operations Research
Management ScienceComputer Science ApplicationsOperations Research
1991English

Materials Modification by Electronic Excitation

2000English

Electronic Excitation and Ionization Spectra of Azabenzenes: Pyridine Revisited by the Symmetry-Adapted Cluster Configuration Interaction Method

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2001English

Chemical Bond Mechanism for Helium Revealed by Electronic Excitation

English

Amanote Research

Note-taking for researchers

Follow Amanote

© 2026 Amaplex Software S.P.R.L. All rights reserved.

Privacy PolicyRefund Policy