The exact quantum mechanical kinetic energy operator in internal coordinates for vibration of a hexatomic molecule

Susan B. Rempe; R. O. Watts

doi:10.1063/1.476469

The exact quantum mechanical kinetic energy operator in internal coordinates for vibration of a hexatomic molecule

Susan B. Rempe
, R. O. Watts

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

24 Scopus citations

Abstract

The full nonrelativistic quantum mechanical vibrational J=0 kinetic energy operator for a hexatomic molecule, (A,B)-C-D-(E,F), expressed in valence stretch, bend, and torsion internal coordinates is given explicitly. The derivation of the operator is reviewed and some of its properties and possible applications discussed. © 1998 American Institute of Physics.

Original language	English
Pages (from-to)	10084-10095
Number of pages	12
Journal	Journal of Chemical Physics
Volume	108
Issue number	24
DOIs	https://doi.org/10.1063/1.476469
State	Published - Jun 22 1998
Externally published	Yes

Access to Document

10.1063/1.476469

Cite this

@article{4a69169c2df848cc89b5419d7a61a8e9,

title = "The exact quantum mechanical kinetic energy operator in internal coordinates for vibration of a hexatomic molecule",

abstract = "The full nonrelativistic quantum mechanical vibrational J=0 kinetic energy operator for a hexatomic molecule, (A,B)-C-D-(E,F), expressed in valence stretch, bend, and torsion internal coordinates is given explicitly. The derivation of the operator is reviewed and some of its properties and possible applications discussed. {\textcopyright} 1998 American Institute of Physics.",

author = "Rempe, \{Susan B.\} and Watts, \{R. O.\}",

year = "1998",

month = jun,

day = "22",

doi = "10.1063/1.476469",

language = "English",

volume = "108",

pages = "10084--10095",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "24",

}

TY - JOUR

T1 - The exact quantum mechanical kinetic energy operator in internal coordinates for vibration of a hexatomic molecule

AU - Rempe, Susan B.

AU - Watts, R. O.

PY - 1998/6/22

Y1 - 1998/6/22

N2 - The full nonrelativistic quantum mechanical vibrational J=0 kinetic energy operator for a hexatomic molecule, (A,B)-C-D-(E,F), expressed in valence stretch, bend, and torsion internal coordinates is given explicitly. The derivation of the operator is reviewed and some of its properties and possible applications discussed. © 1998 American Institute of Physics.

AB - The full nonrelativistic quantum mechanical vibrational J=0 kinetic energy operator for a hexatomic molecule, (A,B)-C-D-(E,F), expressed in valence stretch, bend, and torsion internal coordinates is given explicitly. The derivation of the operator is reviewed and some of its properties and possible applications discussed. © 1998 American Institute of Physics.

UR - https://www.scopus.com/pages/publications/0000115842

U2 - 10.1063/1.476469

DO - 10.1063/1.476469

M3 - Article

SN - 0021-9606

VL - 108

SP - 10084

EP - 10095

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 24

ER -

The exact quantum mechanical kinetic energy operator in internal coordinates for vibration of a hexatomic molecule

Abstract

Access to Document

Fingerprint

Cite this