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Vibrational Stark effect and vibrational static electric properties of N 2 O
Author(s) -
Andrés José Luis,
Bertrán Juan,
Duran Miquel,
Marti Josep
Publication year - 1994
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560520103
Subject(s) - electric field , stark effect , ab initio , vibrational energy relaxation , relaxation (psychology) , molecular orbital , atomic physics , chemistry , molecule , molecular physics , ab initio quantum chemistry methods , computational chemistry , physics , quantum mechanics , psychology , social psychology , organic chemistry
The vibrational Stark effect together with nuclear relaxation and vibrational contributions to the static molecular electric properties of the N 2 O molecule are computed using ab initio molecular orbital thoery. Contributions to the molecular properties are computed by finite‐difference techniques involving the energy vs. the uniform electric‐field strength. © 1994 John Wiley & Sons, Inc.