Correcting for Dispersion Interaction and Beyond in Density Functional Theory Through Force Matching

Journal of Chemical Physics - United States
doi 10.1063/1.3503656
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

Refining Crystal Structures With Quadrupolar NMR and Dispersion-Corrected Density Functional Theory

English

Assessment of Range-Separated Time-Dependent Density-Functional Theory for Calculating C6 Dispersion Coefficients

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2013English

Dynamical Exchange Interaction From Time-Dependent Spin Density Functional Theory

Physical Review B
2013English

Density Functional Theory

Photosynthesis Research
MedicineBiochemistryPlant ScienceCell Biology
2009English

Koopmans’ Condition for Density-Functional Theory

Physical Review B
2010English

Density Functional Theory for Battery Materials

ENERGY & ENVIRONMENTAL MATERIALS
2019English

Nuclear Density Functional Theory With a Semi-Contact 3-Body Interaction

EPJ Web of Conferences
AstronomyPhysics
2016English

A Hybrid Method for Solutes in Complex Solvents: Density Functional Theory Combined With Empirical Force Fields

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
1999English

Amanote Research

Note-taking for researchers

Follow Amanote

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

Privacy PolicyRefund Policy