Wave functions derived from experiment. V. Investigation of electron densities, electrostatic potentials, and electron localization functions for noncentrosymmetric crystals

2003 ◽  
Vol 24 (4) ◽  
pp. 470-483 ◽  
Author(s):  
Daniel J. Grimwood ◽  
Ian Bytheway ◽  
Dylan Jayatilaka
Keyword(s):  
Electrostatic Potentials ◽  
Wave Functions ◽  
Electron Localization ◽  
Electron Densities

Visualization of two-body electron densities and wave functions of magnetic molecules

1999 ◽  
Vol 75 (4-5) ◽  
pp. 645-654 ◽  
Author(s):  
D. Yamaki ◽  
Y. Kitagawa ◽  
H. Nagao ◽  
M. Nakano ◽  
Y. Yoshioka ◽  
...  
Keyword(s):  
Wave Functions ◽  
Electron Densities ◽  
Magnetic Molecules

Tailoring approach for exploring electron densities and electrostatic potentials of molecular crystals

2004 ◽  
Vol 111 (2-6) ◽  
pp. 255-263 ◽  
Author(s):  
K. Babu ◽  
V. Ganesh ◽  
Shridhar R. Gadre ◽  
Nour E. Ghermani
Keyword(s):  
Molecular Crystals ◽  
Electrostatic Potentials ◽  
Electron Densities

Simple correlated wave functions for accurate electron densities: An application to neon

1986 ◽  
Vol 34 (2) ◽  
pp. 853-859 ◽  
Author(s):  
Annik Vivier Bunge ◽  
Rodolfo O. Esquivel
Keyword(s):  
Wave Functions ◽  
Electron Densities
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