Expectation Values of Quasibound States: Nuclear Quadrupole Coupling Constants of BH in the X1 Σ+ and B1 Σ+ States

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Title:Expectation Values of Quasibound States: Nuclear Quadrupole Coupling Constants of BH in the X1 Σ+ and B1 Σ+ States
Creators:
Juřek, Michal
Špirko, Vladimír
Kraemer, Wolfgang P.
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 63, 9, pp. 1309-1320
Uncontrolled Keywords:<i>Ab initio</i> calculations, Resonance states, <sup>10</sup>B and <sup>11</sup>B Nuclear quadrupole coupling constants, Expectation values, Boron

Abstract

The <sup>10</sup>B and <sup>11</sup>B nuclear quadrupole coupling constants of the bound and quasibound rotation-vibrational levels of BH in the ground X~<sup>1</sup>Σ<sup>+</sup> and double-minimum excited B~<sup>1</sup>Σ<sup>+</sup> electronic states are evaluated using <i>ab initio </i>calculated potentials and electric field gradients. The predicted expectation values of the resonance states are found to be smooth continuations of those of the bound states, but their dependence on the rotational and vibrational quantum numbers differs from the standard Dunham-type polynomial dependences obtained for bound state constants.

Title:Expectation Values of Quasibound States: Nuclear Quadrupole Coupling Constants of BH in the X1 Σ+ and B1 Σ+ States
Creators:
Juřek, Michal
Špirko, Vladimír
Kraemer, Wolfgang P.
Uncontrolled Keywords:<i>Ab initio</i> calculations, Resonance states, <sup>10</sup>B and <sup>11</sup>B Nuclear quadrupole coupling constants, Expectation values, Boron
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:63
Number:9
Page Range:pp. 1309-1320
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc19981309UNSPECIFIED
ID Code:1382
Item Type:Article
Deposited On:06 Feb 2009 17:09
Last Modified:06 Feb 2009 16:09

Citation

Juřek, Michal; Špirko, Vladimír; Kraemer, Wolfgang P. (1998) Expectation Values of Quasibound States: Nuclear Quadrupole Coupling Constants of BH in the X1 Σ+ and B1 Σ+ States. Collection of Czechoslovak Chemical Communications, 63 (9). pp. 1309-1320. ISSN 0010-0765

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