Atomic Multipole Expansions of Molecular Charge Densities. Electrostatic Potentials

1981 ◽  
pp. 63-84 ◽  
Author(s):  
John Bentley
Keyword(s):  
Electrostatic Potentials ◽  
Charge Densities ◽  
Molecular Charge ◽  
Multipole Expansions

Bonded-atom fragments for describing molecular charge densities

1977 ◽  
Vol 44 (2) ◽  
pp. 129-138 ◽  
Author(s):  
F. L. Hirshfeld
Keyword(s):  
Charge Densities ◽  
Molecular Charge

Atomic field equations for Maxwell fields interacting with non-relativistic quantal sources

1973 ◽  
Vol 332 (1589) ◽  
pp. 187-197 ◽  
Keyword(s):  
Atomic Hydrogen ◽  
Displacement Vector ◽  
Charged Particles ◽  
Field Equations ◽  
Charge Densities ◽  
Microscopic Field ◽  
Electric And Magnetic Fields ◽  
Maxwell Fields ◽  
Multipole Expansions ◽  
Current Densities

The microscopic field equations of electromagnetism interacting with a many-particle Schrodinger field of charged particles are shown to be exactly equivalent to the atomic field equations where the sources are free electron and ion charge densities and convective and Rontgen current densities only. The fields are now the microscopic displacement vector d and the microscopic auxiliary field h and their relation to the electric and magnetic fields e and b are given exactly in terms of polarization and magnetization vectors without reference to any multipolar expansions. The values of the polarization fields are calculated for several transitions in atomic hydrogen to illustrate the connexion with the usual multipole expansions.

Calculation of electrostatic potentials from multipole charge densities

1993 ◽  
Vol 208 (1-2) ◽  
Author(s):  
Hendrik L. De Bondt ◽  
Ν. Μ. Blaton ◽  
Ο. Μ. Peeters ◽  
C. J. De Ranter
Keyword(s):  
Electrostatic Potentials ◽  
Charge Densities
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