An open library of relativistic core electron density function for the QTAIM analysis with pseudopotentials

2018 ◽  
Vol 39 (22) ◽  
pp. 1697-1706 ◽  
Author(s):  
Wenli Zou ◽  
Ziyu Cai ◽  
Jiankang Wang ◽  
Kunyu Xin
Keyword(s):  
Density Function ◽  
Electron Density ◽  
Core Electron ◽  
Qtaim Analysis ◽  
Electron Density Function

scholarly journals Multiconfiguration electron density function for the ATSP2K-package

2010 ◽  
Vol 181 (2) ◽  
pp. 426-439 ◽  
Author(s):  
A. Borgoo ◽  
O. Scharf ◽  
G. Gaigalas ◽  
M. Godefroid
Keyword(s):  
Density Function ◽  
Electron Density ◽  
Electron Density Function

scholarly journals EL: the new aromaticity measure based on one-electron density function

2012 ◽  
Vol 23 (4) ◽  
pp. 1173-1183 ◽  
Author(s):  
Justyna Dominikowska ◽  
Marcin Palusiak
Keyword(s):  
Density Function ◽  
Electron Density ◽  
Electron Density Function
Sign in / Sign up

Export Citation Format

Share Document