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

Mauricio Cafiero; Ludwik Adamowicz

doi:10.1103/PhysRevLett.89.073001

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

Mauricio Cafiero
, Ludwik Adamowicz

Research output: Contribution to journal › Article › peer-review

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 language	English (US)
Journal	Physical review letters
Volume	89
Issue number	7
DOIs	https://doi.org/10.1103/PhysRevLett.89.073001
State	Published - 2002

ASJC Scopus subject areas

General Physics and Astronomy

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10.1103/PhysRevLett.89.073001

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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",

doi = "10.1103/PhysRevLett.89.073001",

language = "English (US)",

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journal = "Physical review letters",

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AU - Cafiero, Mauricio

AU - Adamowicz, Ludwik

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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.

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DO - 10.1103/PhysRevLett.89.073001

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VL - 89

JO - Physical review letters

JF - Physical review letters

IS - 7

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

Abstract

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