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Correlation energy and dispersion interaction in the ab initio potential energy curve of the neon dimer
Correlation energy and dispersion interaction in the ab initio potential energy curve of the neon dimer
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Correlation energy and dispersion interaction in the ab initio potential energy curve of the neon dimer

Bytautas, Laimutis ; Ruedenberg, Klaus

The Journal of chemical physics, 2008-06, Vol.128 (21), p.214308-214308-12 [Periódico revisado por pares]

United States: American Institute of Physics

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22
Mixed semiclassical–classical approaches to the dynamics of complex molecular systems
Mixed semiclassical–classical approaches to the dynamics of complex molecular systems
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Mixed semiclassical–classical approaches to the dynamics of complex molecular systems

Sun, Xiong ; Miller, William H.

The Journal of chemical physics, 1997-01, Vol.106 (3), p.916-927 [Periódico revisado por pares]

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23
Semiclassical initial value representation for rotational degrees of freedom: The tunneling dynamics of HCl dimer
Semiclassical initial value representation for rotational degrees of freedom: The tunneling dynamics of HCl dimer
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Semiclassical initial value representation for rotational degrees of freedom: The tunneling dynamics of HCl dimer

Sun, Xiong ; Miller, William H.

The Journal of chemical physics, 1998-06, Vol.108 (21), p.8870-8877 [Periódico revisado por pares]

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24
Improved computational strategy for the state-selective coupled-cluster theory with semi-internal triexcited clusters: Potential energy surface of the HF molecule
Improved computational strategy for the state-selective coupled-cluster theory with semi-internal triexcited clusters: Potential energy surface of the HF molecule
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Improved computational strategy for the state-selective coupled-cluster theory with semi-internal triexcited clusters: Potential energy surface of the HF molecule

Ghose, Keya B. ; Piecuch, Piotr ; Adamowicz, Ludwik

The Journal of chemical physics, 1995-12, Vol.103 (21), p.9331-9346 [Periódico revisado por pares]

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25
Chain model of electrorheology
Chain model of electrorheology
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Chain model of electrorheology

Martin, James E. ; Anderson, Robert A.

The Journal of chemical physics, 1996-03, Vol.104 (12), p.4814-4827 [Periódico revisado por pares]

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26
Exact conditions on physically realizable correlation functions of random media
Exact conditions on physically realizable correlation functions of random media
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Exact conditions on physically realizable correlation functions of random media

Torquato, S.

The Journal of chemical physics, 1999-11, Vol.111 (19), p.8832-8837 [Periódico revisado por pares]

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27
Recursion polynomial expansion of the Green’s function with absorbing boundary conditions: Calculations of resonances of HCO by filter diagonalization
Recursion polynomial expansion of the Green’s function with absorbing boundary conditions: Calculations of resonances of HCO by filter diagonalization
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Recursion polynomial expansion of the Green’s function with absorbing boundary conditions: Calculations of resonances of HCO by filter diagonalization

Grozdanov, Tasko P. ; Mandelshtam, Vladimir A. ; Taylor, Howard S.

The Journal of chemical physics, 1995-11, Vol.103 (18), p.7990-7995 [Periódico revisado por pares]

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28
A soft Hartree–Fock pseudopotential for carbon with application to quantum Monte Carlo
A soft Hartree–Fock pseudopotential for carbon with application to quantum Monte Carlo
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A soft Hartree–Fock pseudopotential for carbon with application to quantum Monte Carlo

Greeff, C. W. ; Lester, W. A.

The Journal of chemical physics, 1998-08, Vol.109 (5), p.1607-1612 [Periódico revisado por pares]

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29
Energetics of charge transfer reactions in solvents of dipolar and higher order multipolar character. I. Theory
Energetics of charge transfer reactions in solvents of dipolar and higher order multipolar character. I. Theory
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Energetics of charge transfer reactions in solvents of dipolar and higher order multipolar character. I. Theory

Perng, Baw-Ching ; Newton, Marshall D. ; Raineri, Fernando O. ; Friedman, Harold L.

The Journal of chemical physics, , Vol.104 (18), p.7153-7176 [Periódico revisado por pares]

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30
Quantum reactive scattering for three-body systems via optimized preconditioning, as applied to the O+HCl reaction
Quantum reactive scattering for three-body systems via optimized preconditioning, as applied to the O+HCl reaction
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Quantum reactive scattering for three-body systems via optimized preconditioning, as applied to the O+HCl reaction

Poirier, Bill

The Journal of chemical physics, 1998-04, Vol.108 (13), p.5216-5224 [Periódico revisado por pares]

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Deste Autor:

  1. Coutinho, K
  2. Canuto, S
  3. Fonseca, T
  4. Georg, H
  5. Zerner, M

Neste Assunto:

  1. Physics
  2. Chemistry
  3. Physics, Atomic, Molecular & Chemical
  4. Physical Sciences
  5. Science & Technology

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