Born–Oppenheimer invariants along nuclear configuration paths

Roi Baer

doi:10.1063/1.1515768

Variation of the polarizability with the nuclear configuration as studied by rayleigh scattering and rotational raman spectroscopy in H2S and D2S

Journal of Molecular Structure ◽

10.1016/0022-2860(82)85034-5 ◽

1982 ◽

Vol 79 ◽

pp. 83-86 ◽

Cited By ~ 8

Author(s):

M. Monan ◽

J.L. Bribes ◽

R. Gaufres

Keyword(s):

Raman Spectroscopy ◽

Rayleigh Scattering ◽

Nuclear Configuration

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Configuraciones nucleares en la entonación del español de Antioquia, Colombia

Anuario de Letras Lingüística y Filología ◽

10.19130/iifl.adel.2020.2.24872 ◽

2020 ◽

Vol 8 (2) ◽

pp. 39-64

Author(s):

Diana Muñoz-Builes

Keyword(s):

The Other ◽

Other Hand ◽

Two Cities ◽

The One ◽

Sociocultural Background ◽

Nuclear Configuration

The main objective of this article is double. On the one hand, to describe nuclear configurations and, on the other hand, to analyze phonetically assertive statements with informative broad focus and absolute interrogatives, in the Spanish spoken in Apartadó and Medellín, two cities of Colombia. This research analyzes 112 sentences, uttered by 32 speakers, prestratified by sex, age and sociocultural background. Results suggest that assertive statements with broad focus and absolute interrogatives show, predominantly, the same nuclear configuration (L* L%, H+(!)L* L%) in both cities. Therefore, they could be considered as speaking communities with very similar prosody, although traditionally they belong to different dialect zones. Finally, it is necessary to work with different corpora and with phonetic analysis, as well as intonation studies of perception, that will provide information to establish if there are phonological differences between both sentence modalities.

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The Nuclear Configuration of the Upper Brainstem

The Upper Brainstem in the Human ◽

10.1007/978-3-642-66255-3_2 ◽

1976 ◽

pp. 19-73

Author(s):

Benno Schlesinger

Keyword(s):

Nuclear Configuration

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Optimizing Sparse Matrix-Multiple Vectors Multiplication for Nuclear Configuration Interaction Calculations

2014 IEEE 28th International Parallel and Distributed Processing Symposium ◽

10.1109/ipdps.2014.125 ◽

2014 ◽

Cited By ~ 33

Author(s):

Hasan Metin Aktulga ◽

Aydin Buluc ◽

Samuel Williams ◽

Chao Yang

Keyword(s):

Configuration Interaction ◽

Sparse Matrix ◽

Configuration Interaction Calculations ◽

Nuclear Configuration

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The Absence of a Marcus Inversion Region for Electron Transfer at the Metal-Redox Electrolyte Interface

Australian Journal of Chemistry ◽

10.1071/ch9942171 ◽

1994 ◽

Vol 47 (12) ◽

pp. 2171 ◽

Cited By ~ 1

Author(s):

D Matthews

Keyword(s):

Electron Transfer ◽

Potential Energy ◽

Electron Distribution ◽

Distribution Functions ◽

Rate Distribution ◽

Inversion Region ◽

Redox Electrolyte ◽

Electrolyte Interface ◽

Metal Redox ◽

Nuclear Configuration

The theory of electron transfer at the metal- redox electrolyte interface is described by starting with the work of Gurney and incorporating that of Gerischer and Marcus. This GGM model brings together diverse approaches to the description of electron transfer at electrodes. The electron transfer is described in terms of nuclear configuration potential energy diagrams, electronic configuration potential energy diagrams, electron distribution functions and rate distribution functions. The distinction between microscopic energies and macroscopic (thermodynamic) energies is made and the concept of the Fermi level of the redox electrolyte is clarified. The model of identical parabolas is used for the nuclear configuration diagrams and this is shown to lead to Gaussian electron distribution functions for the redox electrolyte. The rate distribution is obtained from the overlap between occupied and unoccupied states of the metal and redox electrolyte. Integration of the rate distribution gives the rate which is calculated as a function of the electrode potential for various values of the reorganization energy λ. It is shown that the variation of symmetry factor β is small for high λ and that the Tafel plots do not show significant decrease in rate at high overpotentials in the anomalous or inversion region. The Tafel plots for charge transfer (mass transfer is assumed to be fast at all potentials) tend to a limiting value with only a small decrease at high overpotential. This contrasts with the prediction based on nuclear configuration potential energy curves and is attributed to the fact that the overlap is between a Gaussian and a Fermi function rather than between two Gaussians, the latter being the case for homogeneous reactions.

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