Gradient corrections to the Hartree-Fock-Slater exchange and their influence on bond energy calculations

1991 ◽  
Vol 81 (1-2) ◽  
pp. 65-78 ◽  
Author(s):  
Vincenzo Tschinke ◽  
Tom Ziegler
Keyword(s):  
Bond Energy ◽  
Energy Calculations ◽  
Hartree Fock ◽  
Gradient Corrections

Bond-Energy and Surface-Energy Calculations in Metals

2010 ◽  
Vol 87 (6) ◽  
pp. 608-612 ◽  
Author(s):  
James G. Eberhart ◽  
Steve Horner
Keyword(s):  
Surface Energy ◽  
Bond Energy ◽  
Energy Calculations

Concepts of Potential Energy, Enthalpy, and Bond Energy Calculations

2019 ◽  
pp. 253-268
Author(s):  
Patrick E. McMahon ◽  
Rosemary F. McMahon ◽  
Bohdan B. Khomtchouk
Keyword(s):  
Potential Energy ◽  
Bond Energy ◽  
Energy Calculations

Nonlocal-density-functional bond-energy calculations of cage-shaped carbon fullerenes:C32andC60

1992 ◽  
Vol 45 (23) ◽  
pp. 13690-13693 ◽  
Author(s):  
Kinya Kobayashi ◽  
Noriyuki Kurita ◽  
Hiroki Kumahora ◽  
Kazutami Tago ◽  
Kunio Ozawa
Keyword(s):  
Bond Energy ◽  
Density Functional ◽  
Energy Calculations
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