Published February 15, 1975 | Version v1
Journal article

Comment on analytical calculation of atomic and molecular electrostatic potentials from the poisson equation

  • 1. Karl-Marx Univ., Leipzig, Ger.

Description

The assumption, by S. Srebrenik, et. al. (Chem. Phys Letters 20(1973) 419) that methods used for the calculation of atomic and molecular electrostatic potentials phi (r) require numerical integrations of the form phi/sub ab/(r) = ∫rho/sub ab/(r')parallelr'- rparallel-1 dν' is stated to be incorrect because, for a Gauss-type-orbital basis, a closed analytical form exists for the integral. (U.S.)

Additional details

Identifiers

Publishing Information

Journal Title
Chemical Physics Letters
Journal Volume
31
Journal Issue
1
Series
Chem. Phys. Lett.
Journal Page Range
186
ISSN
0009-2614

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
6214007
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
ATOMIC MODELS; ELECTRONIC STRUCTURE; MOLECULAR MODELS; POISSON EQUATION
Descriptors DEC
DIFFERENTIAL EQUATIONS; EQUATIONS; MATHEMATICAL MODELS

Optional Information

Notes
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