Self-consistent, nonorthogonal group function approximation: An ab initio approach for modelling interacting fragments and environmental effects

1992 ◽  
Vol 10 (1) ◽  
pp. 57-91 ◽  
Author(s):  
Ernest L. Mehler
Keyword(s):  
Ab Initio ◽  
Environmental Effects ◽  
Function Approximation ◽  
Group Function ◽  
Self Consistent ◽  
Ab Initio Approach

scholarly journals Quantum Self-Consistent Ab-Initio Lattice Dynamics

2021 ◽  
pp. 107945
Author(s):  
Ambroise van Roekeghem ◽  
Jesús Carrete ◽  
Natalio Mingo
Keyword(s):  
Ab Initio ◽  
Lattice Dynamics ◽  
Self Consistent

scholarly journals Structure and Raman scattering of chained carbon films on copper substrate: ab initio approach

2018 ◽  
Vol 292 ◽  
pp. 012102 ◽  
Author(s):  
E A Buntov ◽  
A F Zatsepin ◽  
M B Guseva ◽  
D A Boqizoda ◽  
B L Oksengendler
Keyword(s):  
Raman Scattering ◽  
Ab Initio ◽  
Copper Substrate ◽  
Carbon Films ◽  
Ab Initio Approach
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