p type function is added to hydrogen (αp = 0.990495).23 The diffuse Rydberg basis functions (αs = 0.08, 0.032; αp = 0.051, 0.02; αd = 0.345, 0.143)22 are further augmented on oxygen to describe the Rydberg states of H2O and H3O. The geometric parameters and the relative energies of H3O dissociating into (H2O + H) are listed in Table 1 together with the ionization and excitation energies of H2O and H3O. There are no previous experimental and theoretical results on H3O to compare with our results. Since the ground stat
Four electronic states of H3 have been studied using a multiple-reference double-excitation configur...
Author Institution: Purdue University, West LafayetteOpen Shell acyl free radical produce closed she...
The properties of the lowest triplet excited states of a series of small molecules containing two or...
Using a basis set containing Rydberg s, p and d functions, ab initio configuration interaction calcu...
The spectrum for the photodetachment of electrons from H3O- to produce H2 + OH or H + H2O is calcula...
Author Institution: Department of Chemistry, University of Southern California, Los Angeles, CA 9000...
Author Institution: Department of Chemistry, University of Southern California, Los Angeles, CA 9000...
$^{1}$ S. Trajmar, W. Williams and A. Kupperman, J. Chem. Phys. 54, 2274 (1971). $^{2}$ F.W.E. Knoop...
Author Institution: Department of Chemistry, The Ohio State UniversityThe lowest lying electronic st...
Author Institution: ETH Zurich, Laboratorium fur Physikalische Chemie, Wolfgang-Pauli-Strasse 10, 80...
Potential energy curves of the ground and low lying excited states for the dissociation of the Rydbe...
Author Institution: ETH Zurich, Laboratorium fur Physikalische Chemie, Wolfgang-Pauli-Strasse 10, 80...
We report the results of extensive configuration interaction studies on 16 excited states of water. ...
We report the results of extensive configuration interaction studies on 16 excited states of water. ...
Author Institution: Purdue University, West LafayetteOpen Shell acyl free radical produce closed she...
Four electronic states of H3 have been studied using a multiple-reference double-excitation configur...
Author Institution: Purdue University, West LafayetteOpen Shell acyl free radical produce closed she...
The properties of the lowest triplet excited states of a series of small molecules containing two or...
Using a basis set containing Rydberg s, p and d functions, ab initio configuration interaction calcu...
The spectrum for the photodetachment of electrons from H3O- to produce H2 + OH or H + H2O is calcula...
Author Institution: Department of Chemistry, University of Southern California, Los Angeles, CA 9000...
Author Institution: Department of Chemistry, University of Southern California, Los Angeles, CA 9000...
$^{1}$ S. Trajmar, W. Williams and A. Kupperman, J. Chem. Phys. 54, 2274 (1971). $^{2}$ F.W.E. Knoop...
Author Institution: Department of Chemistry, The Ohio State UniversityThe lowest lying electronic st...
Author Institution: ETH Zurich, Laboratorium fur Physikalische Chemie, Wolfgang-Pauli-Strasse 10, 80...
Potential energy curves of the ground and low lying excited states for the dissociation of the Rydbe...
Author Institution: ETH Zurich, Laboratorium fur Physikalische Chemie, Wolfgang-Pauli-Strasse 10, 80...
We report the results of extensive configuration interaction studies on 16 excited states of water. ...
We report the results of extensive configuration interaction studies on 16 excited states of water. ...
Author Institution: Purdue University, West LafayetteOpen Shell acyl free radical produce closed she...
Four electronic states of H3 have been studied using a multiple-reference double-excitation configur...
Author Institution: Purdue University, West LafayetteOpen Shell acyl free radical produce closed she...
The properties of the lowest triplet excited states of a series of small molecules containing two or...