Search

Categories

Materials Science

(2)

Physical Chemistry

(2)

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(2)

Published Date

Last 3 years

(2)

Keywords

PySCF

Authors

2 results in Keywords: PySCF

Theoretical and Computational Chemistry

A Semilocal Machine-Learning Correction to Density Functional Approximations

Jingchun Wang, Yao Wang, Rui-Xue Xu, GuanHua Chen, Zheng Xiao

Version 2 posted 27 February 2023

383

Downloads

Theoretical and Computational Chemistry

Implementation of Real-Time TDDFT for Periodic Systems in the Open-Source PySCF Software Package

Kota Hanasaki, Zulfikhar Ali, Min Choi, Mauro Del Ben, Bryan Wong

Version 1 posted 07 December 2022

338

Downloads