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Evaluation of molecular magnetic properties and some related approximations

Authors :
F. Grossi
M. Maestro
G. P. Arrighini
Source :
Theoretica Chimica Acta. 5:266-270
Publication Year :
1966
Publisher :
Springer Science and Business Media LLC, 1966.

Abstract

Small magnetic terms in the molecular Hamiltonian are treated in a SCF perturbation scheme, using H.F. molecular orbitals as basis; some approximations are discussed and compared. In particular, the paramagnetic contributions to the susceptibility and nuclear shielding constants for LiH and N2 are investigated and discussed.

Subjects

Subjects :
Paramagnetism
Chemistry
Electromagnetic shielding
Perturbation (astronomy)
Molecular Hamiltonian
Molecular orbital
Chiropractics
Physics::Chemical Physics
Physical and Theoretical Chemistry
Atomic physics
Molecular physics

Details

ISSN :
14322234 and 00405744
Volume :
5
Database :
OpenAIRE
Journal :
Theoretica Chimica Acta
Accession number :
edsair.doi...........cfca7073d24634ed9b0d6dd0a768f6ab
Full Text :
https://doi.org/10.1007/bf00526939
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