Multireference Exciplex Binding Energies: Basis Set Convergence and Error

International Journal of Quantum Chemistry - United States
doi 10.1002/qua.25819
Full Text
Abstract

Available in full text

Date
Authors
Publisher

Wiley

Related search

Basis Set Limit Electronic Excitation Energies, Ionization Potentials, and Electron Affinities for the 3d Transition Metal Atoms: Coupled Cluster and Multireference Methods

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2006English

Characterizing and Understanding the Remarkably Slow Basis Set Convergence of Several Minnesota Density Functionals for Intermolecular Interaction Energies

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2013English

Binding Energies of Tyrosine Kinase Inhibitors: Error Assessment of Computational Methods for Imatinib and Nilotinib Binding

Computational Biology and Chemistry
BiochemistryComputational MathematicsStructural BiologyOrganic Chemistry
2015English

Parametrization of Atomic Energies to Improve Small Basis Set Density Functional Thermochemistry

English

Post-Ccsd(t) Contributions to Total Atomization Energies in Multireference Systems

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2018English

Explicit Correlation and Basis Set Superposition Error: The Structure and Energy of Carbon Dioxide Dimer

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2011English

Variational Energies and the Fermi Contact Term for the Low-Lying States of Lithium: Basis-Set Completeness

Physical Review A
2012English

Extension Error Set Based on Extension Set

Applied Mathematics
2013English

Line Transects, Covariance Functions and Set Convergence

Advances in Applied Probability
Applied MathematicsStatisticsProbability
1995English

Amanote Research

Note-taking for researchers

Follow Amanote

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

Privacy PolicyRefund Policy