Search

Categories

Physical Chemistry

(1)

Theoretical and Computational Chemistry

(1)

Content Types

Working Paper

(1)

Published Date

Over 3 years

(1)

Keywords

Linear response time-dependent density-functional theory

Authors

1 results in Keywords: Linear response time-dependent density-functional theory

Physical Chemistry

Natural Charge-Transfer Analysis: Eliminating Spurious Charge-Transfer States in Time-Dependent Density Functional Theory via Diabatization, with Application to Projection-Based Embedding

Kevin Carter-Fenk, Christopher J. Mundy, John Herbert

Version 1 posted 28 April 2021

304

Downloads