Full configuration interaction calculation of singlet excited states of Be3

José Miguel Junquera-Hernández; José Sánchez-Marı́n; Gian Luigi Bendazzoli; Stefano Evangelisti

doi:10.1063/1.1792152

Full configuration interaction calculation of singlet excited states of Be3

The Journal of Chemical Physics ◽

10.1063/1.1792152 ◽

2004 ◽

Vol 121 (15) ◽

pp. 7103-7109 ◽

Cited By ~ 13

Author(s):

José Miguel Junquera-Hernández ◽

José Sánchez-Marı́n ◽

Gian Luigi Bendazzoli ◽

Stefano Evangelisti

Keyword(s):

Excited States ◽

Configuration Interaction ◽

Full Configuration Interaction ◽

Full Configuration Interaction Calculation

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Variational solution of the congruently transformed Hamiltonian for many-electron systems using a full-configuration-interaction calculation

Physical Review A ◽

10.1103/physreva.86.062504 ◽

2012 ◽

Vol 86 (6) ◽

Cited By ~ 8

Author(s):

Jennifer M. Elward ◽

Johannes Hoja ◽

Arindam Chakraborty

Keyword(s):

Configuration Interaction ◽

Variational Solution ◽

Electron Systems ◽

Full Configuration Interaction ◽

Full Configuration Interaction Calculation

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Optical properties of self-organized wurtzite InN∕GaN quantum dots: A combined atomistic tight-binding and full configuration interaction calculation

Applied Physics Letters ◽

10.1063/1.2139621 ◽

2005 ◽

Vol 87 (23) ◽

pp. 231114 ◽

Cited By ~ 38

Author(s):

N. Baer ◽

S. Schulz ◽

S. Schumacher ◽

P. Gartner ◽

G. Czycholl ◽

...

Keyword(s):

Quantum Dots ◽

Optical Properties ◽

Configuration Interaction ◽

Tight Binding ◽

Full Configuration Interaction ◽

Self Organized ◽

Full Configuration Interaction Calculation

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Full configuration interaction calculation of BeH adiabatic states

The Journal of Chemical Physics ◽

10.1063/1.2953584 ◽

2008 ◽

Vol 129 (5) ◽

pp. 054310 ◽

Cited By ~ 26

Author(s):

J. Pitarch-Ruiz ◽

J. Sánchez-Marin ◽

A. M. Velasco ◽

I. Martin

Keyword(s):

Configuration Interaction ◽

Full Configuration Interaction ◽

Full Configuration Interaction Calculation

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Full configuration interaction calculation of Be3

The Journal of Chemical Physics ◽

10.1063/1.1695328 ◽

2004 ◽

Vol 120 (18) ◽

pp. 8405-8411 ◽

Cited By ~ 26

Author(s):

José Miguel Junquera-Hernández ◽

José Sánchez-Marı́n ◽

Gian Luigi Bendazzoli ◽

Stefano Evangelisti

Keyword(s):

Configuration Interaction ◽

Full Configuration Interaction ◽

Full Configuration Interaction Calculation

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Publisher's Note: “Communication: Excited states, dynamic correlation functions and spectral properties from full configuration interaction quantum Monte Carlo” [J. Chem. Phys. 137, 191102 (2012)]

The Journal of Chemical Physics ◽

10.1063/1.4773062 ◽

2013 ◽

Vol 138 (2) ◽

pp. 029901

Author(s):

George H. Booth ◽

Garnet Kin-Lic Chan

Keyword(s):

Monte Carlo ◽

Excited States ◽

Configuration Interaction ◽

Correlation Functions ◽

Quantum Monte Carlo ◽

Spectral Properties ◽

Chem Phys ◽

Full Configuration Interaction ◽

Dynamic Correlation

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Full-configuration-interaction calculation of three-body nonadditive contribution to helium interaction potential

The Journal of Chemical Physics ◽

10.1063/1.3204319 ◽

2009 ◽

Vol 131 (6) ◽

pp. 064105 ◽

Cited By ~ 34

Author(s):

Wojciech Cencek ◽

Konrad Patkowski ◽

Krzysztof Szalewicz

Keyword(s):

Interaction Potential ◽

Configuration Interaction ◽

Full Configuration Interaction ◽

Three Body ◽

Full Configuration Interaction Calculation

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Valence full configuration interaction calculation of the CN+ ion

Chemical Physics Letters ◽

10.1016/0009-2614(78)87006-7 ◽

1978 ◽

Vol 55 (2) ◽

pp. 221-225 ◽

Cited By ~ 14

Author(s):

N. Shimakura ◽

H. Inouye ◽

N. Honjou ◽

M. Sagara ◽

K. Ohno

Keyword(s):

Configuration Interaction ◽

Full Configuration Interaction ◽

Full Configuration Interaction Calculation

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Density matrices in full configuration interaction quantum Monte Carlo: Excited states, transition dipole moments, and parallel distribution

The Journal of Chemical Physics ◽

10.1063/1.4986963 ◽

2017 ◽

Vol 146 (24) ◽

pp. 244105 ◽

Cited By ~ 27

Author(s):

N. S. Blunt ◽

George H. Booth ◽

Ali Alavi

Keyword(s):

Monte Carlo ◽

Excited States ◽

Configuration Interaction ◽

Quantum Monte Carlo ◽

Dipole Moments ◽

Density Matrices ◽

Transition Dipole ◽

Full Configuration Interaction ◽

Transition Dipole Moments ◽

Parallel Distribution

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Simultaneous optimization of exponents, centers of Gaussian-type basis functions, and geometry with full-configuration interaction wave function: Application to the ground and excited states of hydrogen molecule

The Journal of Chemical Physics ◽

10.1063/1.1288382 ◽

2000 ◽

Vol 113 (12) ◽

pp. 4942 ◽

Cited By ~ 18

Author(s):

Masanori Tachikawa ◽

Yoshihiro Osamura

Keyword(s):

Wave Function ◽

Excited States ◽

Configuration Interaction ◽

Hydrogen Molecule ◽

Basis Functions ◽

Simultaneous Optimization ◽

Full Configuration Interaction ◽

Gaussian Type

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Full configuration interaction calculation for ?-electron spectra of polycyclic hydrocarbons

Theoretical and Experimental Chemistry ◽

10.1007/bf00532114 ◽

1993 ◽

Vol 28 (5-6) ◽

pp. 364-366

Author(s):

A. L. Vul'fov ◽

V. O. Kruglov

Keyword(s):

Configuration Interaction ◽

Polycyclic Hydrocarbons ◽

Full Configuration Interaction ◽

Electron Spectra ◽

Full Configuration Interaction Calculation

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