Study on the behavior of energy convergence in ab initio crystal orbital calculations

1996 ◽  
Vol 94 (6) ◽  
pp. 311-331 ◽  
Author(s):  
Hiroyuki Teramae
Keyword(s):  
Ab Initio ◽  
Crystal Orbital ◽  
Energy Convergence

Ab initio crystal orbital studies on linear chains of H atoms

1976 ◽  
Vol 41 (1) ◽  
pp. 89-91 ◽  
Author(s):  
Miklos Kertesz ◽  
Jože Koller ◽  
Andrej Ažman
Keyword(s):  
Ab Initio ◽  
Crystal Orbital ◽  
Linear Chains

Ab initio crystal orbital calculations on polyacetylene-polyethylene copolymers

1987 ◽  
Vol 126 (1) ◽  
pp. 38-40 ◽  
Author(s):  
M.A. Abdel-Raouf ◽  
C.-M. Liegener ◽  
J. Ladik
Keyword(s):  
Ab Initio ◽  
Crystal Orbital

On the AB initio crystal orbital method

1976 ◽  
Vol 41 (2) ◽  
pp. 107-123 ◽  
Author(s):  
M. Kertész
Keyword(s):  
Ab Initio ◽  
Orbital Method ◽  
Crystal Orbital

Ab initio crystal orbital study of HCN linear chain

1976 ◽  
Vol 41 (1) ◽  
pp. 146-148 ◽  
Author(s):  
M. Kertész ◽  
J. Koller ◽  
A. Ažman
Keyword(s):  
Ab Initio ◽  
Linear Chain ◽  
Crystal Orbital ◽  
Orbital Study

Ab initio crystal orbital calculations on (CH)n and (HF)n with extended basis sets

1984 ◽  
Vol 26 (S18) ◽  
pp. 153-159 ◽  
Author(s):  
Y. J. I'haya ◽  
S. Narita ◽  
Y. Fujita ◽  
H. Ujino
Keyword(s):  
Ab Initio ◽  
Basis Sets ◽  
Crystal Orbital ◽  
Extended Basis
Sign in / Sign up

Export Citation Format

Share Document