Evaluation of the Linear and Second-Order NLO Properties of Molecular Crystals within the Local Field Theory: Electron Correlation Effects, Choice of XC Functional, ZPVA Contributions, and Impact of the Geometry in the Case of 2-Methyl-4-nitroaniline

2014 ◽  
Vol 10 (5) ◽  
pp. 2114-2124 ◽  
Author(s):  
Tomasz Seidler ◽  
Katarzyna Stadnicka ◽  
Benoît Champagne
Keyword(s):  
Field Theory ◽  
Local Field ◽  
Electron Correlation ◽  
Molecular Crystals ◽  
Second Order ◽  
Correlation Effects ◽  
Nlo Properties ◽  
Local Field Theory ◽  
Electron Correlation Effects

Quantifying electron-correlation effects in small coinage-metal clusters by ab initio calculations

2021 ◽  
Author(s):  
Victor Giovanni de Pina ◽  
Bráulio Gabriel Alencar Brito ◽  
Guo -Q Hai ◽  
Ladir Cândido
Keyword(s):  
Monte Carlo ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electron Correlation ◽  
Metal Clusters ◽  
Correlation Effects ◽  
Diffusion Monte Carlo ◽  
Coinage Metal ◽  
Electron Correlation Effects ◽  
Fixed Node

We investigate many-electron correlation effects in neutral and charged coinage-metal clusters Cun, Agn, and Aun (n = 1 − 4) by ab initio calculations using fixed-node diffusion Monte Carlo (FN-DMC)...

Local field theory for solitons. II.

1979 ◽  
Vol 19 (8) ◽  
pp. 2357-2366 ◽  
Author(s):  
K. Bardakci
Keyword(s):  
Field Theory ◽  
Local Field ◽  
Local Field Theory
Sign in / Sign up

Export Citation Format

Share Document