Molecules, energy hypersurfaces and the Born-Oppenheimer approximation

T. Veszprémi, Miklós Fehér

Research output: Contribution to journalArticle

Abstract

In this article the basis of one of the most important ideas behind modem chemistry the Born-Oppenheimer approximation, is presented together with its inherent approximations. The concept and validity of potential energy surfaces is discussed, as well as the pitfalls of their use. In view of the different levels of approximation, a glimpse on possible definitions of the entity molecule is made. Finally, examples for phenomena are given that point beyond the Born-Oppenheimer approximation.

Original languageEnglish
Pages (from-to)193-207
Number of pages15
JournalACH - Models in Chemistry
Volume133
Issue number1-2
Publication statusPublished - 1996

Fingerprint

Born approximation
Potential energy surfaces
Molecules
Modems

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Molecules, energy hypersurfaces and the Born-Oppenheimer approximation. / Veszprémi, T.; Fehér, Miklós.

In: ACH - Models in Chemistry, Vol. 133, No. 1-2, 1996, p. 193-207.

Research output: Contribution to journalArticle

@article{006d81ae84de45518568dbc5b6c84a99,
title = "Molecules, energy hypersurfaces and the Born-Oppenheimer approximation",
abstract = "In this article the basis of one of the most important ideas behind modem chemistry the Born-Oppenheimer approximation, is presented together with its inherent approximations. The concept and validity of potential energy surfaces is discussed, as well as the pitfalls of their use. In view of the different levels of approximation, a glimpse on possible definitions of the entity molecule is made. Finally, examples for phenomena are given that point beyond the Born-Oppenheimer approximation.",
author = "T. Veszpr{\'e}mi and Mikl{\'o}s Feh{\'e}r",
year = "1996",
language = "English",
volume = "133",
pages = "193--207",
journal = "ACH - Models in Chemistry",
issn = "1217-8969",
publisher = "Akademiai Kiado",
number = "1-2",

}

TY - JOUR

T1 - Molecules, energy hypersurfaces and the Born-Oppenheimer approximation

AU - Veszprémi, T.

AU - Fehér, Miklós

PY - 1996

Y1 - 1996

N2 - In this article the basis of one of the most important ideas behind modem chemistry the Born-Oppenheimer approximation, is presented together with its inherent approximations. The concept and validity of potential energy surfaces is discussed, as well as the pitfalls of their use. In view of the different levels of approximation, a glimpse on possible definitions of the entity molecule is made. Finally, examples for phenomena are given that point beyond the Born-Oppenheimer approximation.

AB - In this article the basis of one of the most important ideas behind modem chemistry the Born-Oppenheimer approximation, is presented together with its inherent approximations. The concept and validity of potential energy surfaces is discussed, as well as the pitfalls of their use. In view of the different levels of approximation, a glimpse on possible definitions of the entity molecule is made. Finally, examples for phenomena are given that point beyond the Born-Oppenheimer approximation.

UR - http://www.scopus.com/inward/record.url?scp=33749293480&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=33749293480&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:33749293480

VL - 133

SP - 193

EP - 207

JO - ACH - Models in Chemistry

JF - ACH - Models in Chemistry

SN - 1217-8969

IS - 1-2

ER -