Search

Categories

Materials Chemistry

(1)

Physical Chemistry

(1)

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(2)

Published Date

Last 3 years

(2)

Last 12 months

(2)

Keywords

Exchange-correlation functional

Authors

2 results in Keywords: Exchange-correlation functional

Theoretical and Computational Chemistry

TDDFT and the X-ray absorption spectrum of liquid water: finding the “best” functional

Thomas Fransson, Lars Pettersson

Version 1 posted 26 March 2024

170

Downloads

Theoretical and Computational Chemistry

Accurate Electronic and Optical Properties of Organic Doublet Radicals Using Machine Learned Range-Separated Functionals

Cheng-Wei Ju, Yili Shen, Ethan French, Jun Yi, Hongshan Bi, Aaron Tian, Zhou Lin

Version 5 posted 12 February 2024

798

Downloads