Outer-valence Green’s function method using natural orbitals for ultrafast electron density dynamics

2011 ◽  
Vol 970 (1-3) ◽  
pp. 42-47 ◽  
Author(s):  
Ioannis Thanopulos
Keyword(s):  
Green’S Function ◽  
Electron Density ◽  
Green's Function ◽  
Function Method ◽  
Green’S Function Method ◽  
Natural Orbitals ◽  
Density Dynamics ◽  
Outer Valence

Ionization energies of hydrogen-bonded dimers with the outer-valence Green’s function method

2021 ◽  
Vol 541 ◽  
pp. 111031
Author(s):  
Bastien Casier ◽  
Stéphane Carniato ◽  
Tsveta Miteva ◽  
Nicolas Sisourat ◽  
Nathalie Capron
Keyword(s):  
Green’S Function ◽  
Green's Function ◽  
Function Method ◽  
Green’S Function Method ◽  
Ionization Energies ◽  
Outer Valence ◽  
Hydrogen Bonded

THE ATOMISTIC GREEN'S FUNCTION METHOD FOR INTERFACIAL PHONON TRANSPORT

2014 ◽  
Vol 17 (N/A) ◽  
pp. 89-145 ◽  
Author(s):  
Sridhar Sadasivam ◽  
Yuhang Che ◽  
Zhen Huang ◽  
Liang Chen ◽  
Satish Kumar ◽  
...  
Keyword(s):  
Green’S Function ◽  
Green's Function ◽  
Function Method ◽  
Phonon Transport ◽  
Green’S Function Method
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