location: Current position: Home >> Scientific Research >> Paper Publications

The Beijing density functional (BDF) program package: Methodologies and applications

Hits:

Journal:J. Theor. Comput. Chem.

Key Words:Relativistic effects DFT spin polarization DKS SEAX ZORA BDF

All the Authors:F. Wang,L. Li

First Author:W. Liu*

Volume:2

Page Number:257-272

Translation or Not:no

Date of Publication:2013-01-01

Attachments:

Pre One:Combining spin-adapted open-shell TD-DFT with spin-orbit coupling

Next One:Theoretical study of the low-lying electronic excited states for molecular aggregates