VBDFT(s): a Hückel-type semi-empirical valence bond method scaled to density functional energies. Application to linear polyenes

1998 ◽  
Vol 292 (1-2) ◽  
pp. 7-14 ◽  
Author(s):  
Wei Wu ◽  
Shi-jun Zhong ◽  
Sason Shaik
Keyword(s):  
Density Functional ◽  
Valence Bond ◽  
Empirical Valence Bond ◽  
Linear Polyenes ◽  
Semi Empirical ◽  
Bond Method

Hamiltonian Matrix Correction Based Density Functional Valence Bond Method

2017 ◽  
Vol 13 (2) ◽  
pp. 627-634 ◽  
Author(s):  
Chen Zhou ◽  
Yang Zhang ◽  
Xiping Gong ◽  
Fuming Ying ◽  
Peifeng Su ◽  
...  
Keyword(s):  
Density Functional ◽  
Valence Bond ◽  
Hamiltonian Matrix ◽  
Matrix Correction ◽  
Bond Method

DFVB: A Density-Functional-Based Valence Bond Method

2012 ◽  
Vol 8 (5) ◽  
pp. 1608-1615 ◽  
Author(s):  
Fuming Ying ◽  
Peifeng Su ◽  
Zhenhua Chen ◽  
Sason Shaik ◽  
Wei Wu
Keyword(s):  
Density Functional ◽  
Valence Bond ◽  
Bond Method
Sign in / Sign up

Export Citation Format

Share Document