Many-body effects in nonadiabatic molecular theory for simultaneous determination of nuclear and electronic wave functions:Ab initioNOMO/MBPT and CC methods

Hiromi Nakai; Keitaro Sodeyama

doi:10.1063/1.1528951

Many-body effects in nonadiabatic molecular theory for simultaneous determination of nuclear and electronic wave functions:Ab initioNOMO/MBPT and CC methods

The Journal of Chemical Physics ◽

10.1063/1.1528951 ◽

2003 ◽

Vol 118 (3) ◽

pp. 1119-1127 ◽

Cited By ~ 76

Author(s):

Hiromi Nakai ◽

Keitaro Sodeyama

Keyword(s):

Simultaneous Determination ◽

Molecular Theory ◽

Many Body ◽

Electronic Wave ◽

Many Body Effects

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Simultaneous determination of nuclear and electronic wave functions without Born-Oppenheimer approximation: Ab initio NO+MO/HF theory

International Journal of Quantum Chemistry ◽

10.1002/qua.1106 ◽

2002 ◽

Vol 86 (6) ◽

pp. 511-517 ◽

Cited By ~ 102

Author(s):

Hiromi Nakai

Keyword(s):

Ab Initio ◽

Simultaneous Determination ◽

Wave Functions ◽

Electronic Wave ◽

Oppenheimer Approximation ◽

Electronic Wave Functions

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Proposed determination of many-body effects in heavy-fermion systems by conduction-electron-spin resonance

Physical Review B ◽

10.1103/physrevb.32.1835 ◽

1985 ◽

Vol 32 (3) ◽

pp. 1835-1838

Author(s):

Kevin S. Bedell ◽

David E. Meltzer

Keyword(s):

Electron Spin Resonance ◽

Electron Spin ◽

Conduction Electron ◽

Heavy Fermion ◽

Many Body ◽

Fermion Systems ◽

Spin Resonance ◽

Heavy Fermion Systems ◽

Many Body Effects

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Nuclear orbital plus molecular orbital theory: Simultaneous determination of nuclear and electronic wave functions without Born–Oppenheimer approximation

International Journal of Quantum Chemistry ◽

10.1002/qua.21379 ◽

2007 ◽

Vol 107 (14) ◽

pp. 2849-2869 ◽

Cited By ~ 66

Author(s):

Hiromi Nakai

Keyword(s):

Simultaneous Determination ◽

Molecular Orbital ◽

Wave Functions ◽

Molecular Orbital Theory ◽

Orbital Theory ◽

Electronic Wave ◽

Oppenheimer Approximation ◽

Electronic Wave Functions

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Relativistic and many-body effects in K, L, and M shell ionization energy for elements with $\mathsf{10 \leq Z \leq 100}$ and the determination of the 1s Lamb shift for heavy elements

The European Physical Journal D ◽

10.1007/s100530050146 ◽

1998 ◽

Vol 3 (1) ◽

pp. 29-41 ◽

Cited By ~ 74

Author(s):

P. Indelicato ◽

S. Boucard ◽

E. Lindroth

Keyword(s):

Ionization Energy ◽

Lamb Shift ◽

Heavy Elements ◽

Many Body ◽

Many Body Effects ◽

Shell Ionization

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Piecewise determination of the interaction potential and many-body effects in the Li2F2 model cluster

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(94)03713-u ◽

1994 ◽

Vol 314 (3) ◽

pp. 295-299

Author(s):

A.S. Shalabi ◽

M.M. Shalabi

Keyword(s):

Interaction Potential ◽

Many Body ◽

Model Cluster ◽

Many Body Effects

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Non-Born-Oppenheimer Theory for Simultaneous Determination of Nuclear and Electronic Wave Functions: Nuclear Orbital plus Molecular Orbital (NOMO) Theory

Molecular Science ◽

10.3175/molsci.1.a0010 ◽

2007 ◽

Vol 1 (1) ◽

pp. A0010-A0010 ◽

Cited By ~ 1

Author(s):

Hiromi Nakai ◽

Minoru Hoshino

Keyword(s):

Simultaneous Determination ◽

Molecular Orbital ◽

Wave Functions ◽

Electronic Wave ◽

Electronic Wave Functions

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Laplacian Field of the Effectively Unpaired Electron Density: Determination of Many-Body Effects on Electron Distributions

The Journal of Physical Chemistry A ◽

10.1021/jp0681101 ◽

2007 ◽

Vol 111 (16) ◽

pp. 3166-3172 ◽

Cited By ~ 15

Author(s):

Rosana M. Lobayan ◽

Roberto C. Bochicchio ◽

Luis Lain ◽

Alicia Torre

Keyword(s):

Electron Density ◽

Unpaired Electron ◽

Many Body ◽

Density Determination ◽

Unpaired Electron Density ◽

Electron Distributions ◽

Many Body Effects

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A general computer program for the extended plate overlap algorithm

International Astronomical Union Colloquium ◽

10.1017/s0252921100074236 ◽

1978 ◽

Vol 48 ◽

pp. 287-293 ◽

Cited By ~ 1

Author(s):

Chr. de Vegt ◽

E. Ebner ◽

K. von der Heide

Keyword(s):

Computer Program ◽

Simultaneous Determination ◽

General Computer Program ◽

General Computer

In contrast to the adjustment of single plates a block adjustment is a simultaneous determination of all unknowns associated with many overlapping plates (star positions and plate constants etc. ) by one large adjustment. This plate overlap technique was introduced by Eichhorn and reviewed by Googe et. al. The author now has developed a set of computer programmes which allows the adjustment of any set of contemporaneous overlapping plates. There is in principle no limit for the number of plates, the number of stars, the number of individual plate constants for each plate, and for the overlapping factor.

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