General Born-Oppenheimer-Huang approach to systems of electrons and nuclei

Roi Baer; Donald J. Kouri; Michael Baer; David K. Hoffman

doi:10.1063/1.1606433

General Born-Oppenheimer-Huang approach to systems of electrons and nuclei

Roi Baer
, Donald J. Kouri
, Michael Baer^*
, David K. Hoffman

^*Corresponding author for this work

Institute of Chemistry

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

30 Scopus citations

Abstract

The most general treatment of the time-dependent Schrodinger equation describing systems of nuclei and electrons leads to equations which involve contributions to nuclear momentum operator in addition to ℏ/i times the nuclear gradient operator. As an application to theory, a method to treat the nuclear dynamics under strong electromagnetic fields is presented. The proposed treatment includes the projection of the fully time-dependent states at time t on the adiabatic states at time t=0.

Original language	English
Pages (from-to)	6998-7002
Number of pages	5
Journal	Journal of Chemical Physics
Volume	119
Issue number	14
DOIs	https://doi.org/10.1063/1.1606433
State	Published - 8 Oct 2003

Access to Document

10.1063/1.1606433

Cite this

@article{e7a4e05bd2e24929beda6046f79c00d0,

title = "General Born-Oppenheimer-Huang approach to systems of electrons and nuclei",

abstract = "The most general treatment of the time-dependent Schrodinger equation describing systems of nuclei and electrons leads to equations which involve contributions to nuclear momentum operator in addition to ℏ/i times the nuclear gradient operator. As an application to theory, a method to treat the nuclear dynamics under strong electromagnetic fields is presented. The proposed treatment includes the projection of the fully time-dependent states at time t on the adiabatic states at time t=0.",

author = "Roi Baer and Kouri, \{Donald J.\} and Michael Baer and Hoffman, \{David K.\}",

year = "2003",

month = oct,

day = "8",

doi = "10.1063/1.1606433",

language = "אנגלית",

volume = "119",

pages = "6998--7002",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "14",

}

TY - JOUR

T1 - General Born-Oppenheimer-Huang approach to systems of electrons and nuclei

AU - Baer, Roi

AU - Kouri, Donald J.

AU - Baer, Michael

AU - Hoffman, David K.

PY - 2003/10/8

Y1 - 2003/10/8

N2 - The most general treatment of the time-dependent Schrodinger equation describing systems of nuclei and electrons leads to equations which involve contributions to nuclear momentum operator in addition to ℏ/i times the nuclear gradient operator. As an application to theory, a method to treat the nuclear dynamics under strong electromagnetic fields is presented. The proposed treatment includes the projection of the fully time-dependent states at time t on the adiabatic states at time t=0.

AB - The most general treatment of the time-dependent Schrodinger equation describing systems of nuclei and electrons leads to equations which involve contributions to nuclear momentum operator in addition to ℏ/i times the nuclear gradient operator. As an application to theory, a method to treat the nuclear dynamics under strong electromagnetic fields is presented. The proposed treatment includes the projection of the fully time-dependent states at time t on the adiabatic states at time t=0.

UR - https://www.scopus.com/pages/publications/0142242207

U2 - 10.1063/1.1606433

DO - 10.1063/1.1606433

M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???

AN - SCOPUS:0142242207

SN - 0021-9606

VL - 119

SP - 6998

EP - 7002

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 14

ER -

General Born-Oppenheimer-Huang approach to systems of electrons and nuclei

Abstract

Access to Document

Other files and links

Fingerprint

Cite this