Results 211 to 220 of about 84,873 (261)

Nonadiabatic energies of the ground state of the hydrogen molecule

Journal of Chemical Physics, 1995
Possible sources of residual errors in the theoretical energies of the hydrogen molecule are investigated. Nonadiabatic corrections are computed for all bound, J≤10 X 1Σg+ ro-vibrational states of the six isotopic hydrogen molecules. The new results improve significantly the overall agreement with accurate experimental transition frequencies.
Wolniewicz L
exaly   +2 more sources

The ground state of molecular hydrogen

Journal of Molecular Spectroscopy, 1983
Abstract The v = 0−0 quadrupole spectrum of H2 has been recorded using a 0.005-cm−1 resolution Fourier transform spectrometer. The rotational lines S(1) through S(5) are observable in the spectra, in the region 587 to 1447 cm−1. The spectral position for S(0) was also obtained from its v = 1-0 ground-state combination difference. The high accuracy of
D.E. Jennings, J.W. Brault
openaire   +1 more source

The Ground State of the Hydrogen Molecule

The Journal of Chemical Physics, 1933
The method used by Hylleraas in treating the He atom has been extended to the H2 molecule. The method consists of setting up a wave function as a series in the five variables required, electronic separation being introduced explicitly as one of the variables. The coefficients are then determined so as to produce the lowest energy.
Hubert M. James, Albert Sprague Coolidge
openaire   +1 more source

Hydrogen bonding and TICT molecules in ground state

Proceedings / Indian Academy of Sciences, 1992
no ...
Cazeaudubroca, C., Peirigua, A., Benbrahim, M., Nouchi, G., Cazeau, P.   +4 more
openaire   +2 more sources

Correlated Orbitals for the Ground State of the Hydrogen Molecule

Reviews of Modern Physics, 1960
W. Kolos, C. C. J. Roothaan
exaly   +2 more sources

Ground state of solid hydrogen at high pressures

Physical Review B, 1987
Quantum Monte Carlo calculations of the properties of bulk hydrogen at zero temperature have been performed. The only approximations involved in these calculations are the restriction to finite systems (64 to 432 atoms), the use of the fixed-node approximation to treat Fermi statistics, and the finite length of the Monte Carlo runs.
, Ceperley, , Alder
openaire   +2 more sources

Ground State Structure of the Metallic Hydrogen

Chinese Physics Letters, 1998
By using Heine-Abarencov pseudopotential method with mono-parameter rc, the expressions for ground state energy (rs), pressure P (rs), and bulk modulus B(rs) of metallic hydrogen (fcc, bcc, and hcp structures) are derived. Based on Gibbs free energy function criterion, the calculation shows that cold metallic hydrogen lattice (T = 0K) belongs to hcp ...
Zai-wan Zhu, Jun-jie Li
openaire   +1 more source

The ground state of the hydrogen molecule

Proceedings of the Physical Society, 1965
Weinbaum's treatment of the 1Σg+ state of H2 is adapted to calculate the ground state electronic wave function at several internuclear distances.
openaire   +1 more source

Collisions of ground-state hydrogen atoms

Physical Review A, 1999
We derive an expression for the diffusion cross section of identical atoms and use it in a report of diffusion, viscosity, total, spin-change, frequency-shift, and broadening cross sections in hydrogen, calculated with improved interaction potentials. We also report some total cross sections for spin-polarized hydrogen.
M. J. Jamieson, A. Dalgarno, B. Zygelman, P. S. Krstić, D. R. Schultz   +4 more
openaire   +1 more source

Ground state of a hydrogen molecule in superstrong magnetic fields

Physical Review A, 1995
We study the ground-state structural properties of a hydrogen molecule in superstrong magnetic fields (B\ensuremath{\approxeq}${10}^{12}$ G) using quantum Monte Carlo (fixed-phase and variational) approaches. We determine that the ground state (spin-triplet) belongs to the sector of total (z-component) angular momentum M=-1 ${(}^{3}$${\mathrm ...
, Ortiz, , Jones, , Ceperley
openaire   +2 more sources