Results 311 to 320 of about 966,659 (353)
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A quantum Monte Carlo calculation of the ground state energy of the hydrogen molecule
Journal of Chemical Physics, 1991James Anderson
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A study of the ground electronic state of hydrogen peroxide
Journal of Molecular Spectroscopy, 1989Abstract A quartic force field for H 2 O 2 is presented in terms of curvilinear displacement coordinates, the result of an ab initio calculation with DZP, TZ2P, and TZ2P+ f basis sets. The MP2 method was used for the quadratic part with the SCF method used for the cubic and quartic parts.
Andrew Willetts +3 more
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Collisional quenching of metastable hydrogen by ground-state hydrogen atoms
Physica, 1971Abstract The quenching of the 2s metastable state of hydrogen by hydrogen atom impact appears to be controlled, at low incident energies, by a single 2s-2p transition, with subsequent decay to the 1s state rather than by direct de-excitation to the ground state.
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Multiphoton Ionization of Atomic Hydrogen in the Ground State
Physical Review, 1968The general theory of multiphoton ionization of hydrogen atoms by simultaneous absorption of several photons is discussed. In the nonrelativistic dipole approximation, the calculations lead to a recursion relationship concerning angular functions and involve radial matrix elements containing many summations over intermediate states.
Y. Gontier, M. Trahin
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Properties of the ground state of the hydrogen molecular ion
Physical Review A, 1998The ground-state energies of the ions ${\mathrm{H}}_{2}^{+}$ and ${\mathrm{D}}_{2}^{+}$ have been calculated without making use of the Born-Oppenheimer approximation. Instead, the ions are treated as three-body systems whose ground states are spherically symmetric.
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Accurate potential for the ground state of the hydrogen molecule
Spectrochimica Acta Part A: Molecular Spectroscopy, 1988Abstract Starting from the spectroscopic constants, an electronic potential for the ground state hydrogen molecule is presented. Self-consistence is checked by numerical integration of the radial wave equation. The mean eigenvalue deviation is about 1 cm −1 . Comparison with the latest theoretical work is considered.
A. Pardo +3 more
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Collisional Excitation of Ground State Hydrogenic Ions
Canadian Journal of Physics, 1973The nonrelativistic Coulomb–Born approximation has been used to compute scaled collision strengths for electron impact excitation of the 1s → ns, np, nd transitions in hydrogenic ions. Results are given for n = 2, 3, 4, 5, 6, [Formula: see text] as a function of the incident electron energy in threshold units.
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Ground state calculations for solid hydrogen and deuterium
Zeitschrift für Physik A Hadrons and nuclei, 1972The ground state energy, the mean square displacement of the molecules, the lattice constant, and the effective quadrupole-quadrupole coupling constant are calculated variationally and compared with the experiments. Both the orientationally ordered fcc-phases and the hcp-phases are considered.
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Nonadiabatic effects in the ground state of the hydrogen molecule
Journal of Molecular Spectroscopy, 1974Abstract A sum-over-states procedure is used in the ab initio evaluation of the matrix elements needed for a nonadiabatic treatment of the ground electronic state of H2. Bunker's (J. Mol. Spectrosc. 42, 478 (1972)) semiempirical value for the nonadiabatic parameter l1 = 0.130 ± 0.006 is in agreement with the present calculation, which therefore ...
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Molecular Orbitals for the Hydrogen Molecule Ground State
The Journal of Chemical Physics, 1955The ground-state energy of the hydrogen molecule has been calculated using a wave function constructed from LCAO molecular orbitals. The effective nuclear charge in the MO for one electron is taken to be different from that for the MO for the second electron.
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