Non-Born-Oppenheimer Isotope Effects on the Polarizabilities of [Formula presented]

Mauricio Cafiero, Ludwik Adamowicz

Research output: Contribution to journalArticle

Abstract

We present non-Born-Oppenheimer quantum-mechanical calculations of the behavior of isolated molecules of the [Formula presented] isotopomer series in static electric fields. Some conceptual aspects of such calculations are discussed. The values for polarizabilities and hyperpolarizabilities of the [Formula presented] isotopomers which we present are the first ever fully nonadiabatic calculated values of these properties.

Original languageEnglish (US)
JournalPhysical Review Letters
Volume89
Issue number7
DOIs
StatePublished - Jan 1 2002

Fingerprint

isotope effect
electric fields
molecules

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Non-Born-Oppenheimer Isotope Effects on the Polarizabilities of [Formula presented] . / Cafiero, Mauricio; Adamowicz, Ludwik.

In: Physical Review Letters, Vol. 89, No. 7, 01.01.2002.

Research output: Contribution to journalArticle

@article{a27ffeda7c754f30813e3b9814d01d8b,
title = "Non-Born-Oppenheimer Isotope Effects on the Polarizabilities of [Formula presented]",
abstract = "We present non-Born-Oppenheimer quantum-mechanical calculations of the behavior of isolated molecules of the [Formula presented] isotopomer series in static electric fields. Some conceptual aspects of such calculations are discussed. The values for polarizabilities and hyperpolarizabilities of the [Formula presented] isotopomers which we present are the first ever fully nonadiabatic calculated values of these properties.",
author = "Mauricio Cafiero and Ludwik Adamowicz",
year = "2002",
month = "1",
day = "1",
doi = "10.1103/PhysRevLett.89.073001",
language = "English (US)",
volume = "89",
journal = "Physical Review Letters",
issn = "0031-9007",
publisher = "American Physical Society",
number = "7",

}

TY - JOUR

T1 - Non-Born-Oppenheimer Isotope Effects on the Polarizabilities of [Formula presented]

AU - Cafiero, Mauricio

AU - Adamowicz, Ludwik

PY - 2002/1/1

Y1 - 2002/1/1

N2 - We present non-Born-Oppenheimer quantum-mechanical calculations of the behavior of isolated molecules of the [Formula presented] isotopomer series in static electric fields. Some conceptual aspects of such calculations are discussed. The values for polarizabilities and hyperpolarizabilities of the [Formula presented] isotopomers which we present are the first ever fully nonadiabatic calculated values of these properties.

AB - We present non-Born-Oppenheimer quantum-mechanical calculations of the behavior of isolated molecules of the [Formula presented] isotopomer series in static electric fields. Some conceptual aspects of such calculations are discussed. The values for polarizabilities and hyperpolarizabilities of the [Formula presented] isotopomers which we present are the first ever fully nonadiabatic calculated values of these properties.

UR - http://www.scopus.com/inward/record.url?scp=85038335851&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85038335851&partnerID=8YFLogxK

U2 - 10.1103/PhysRevLett.89.073001

DO - 10.1103/PhysRevLett.89.073001

M3 - Article

AN - SCOPUS:85038335851

VL - 89

JO - Physical Review Letters

JF - Physical Review Letters

SN - 0031-9007

IS - 7

ER -