Valence photoelectron spectra of alkali bromides calculated within the propagator theory

Alexander Karpenko; Denys Iablonskyi; Helena Aksela

doi:10.1063/1.4802054

Valence photoelectron spectra of alkali bromides calculated within the propagator theory

Alexander Karpenko, Denys Iablonskyi, Helena Aksela

University of Oulu

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Abstract

The valence ionization spectra covering the binding energy range 0-45 eV of alkali bromide XBr (X = Li, Na, K, Rb) vapors are studied within the framework of the propagator theory. Relativistic Algebraic Diagrammatic Construction calculations have been carried out in order to investigate photoionization processes and to describe molecular electronic structure. Theoretical results are compared with available experimental data.

Original language	English
Journal	Journal of Chemical Physics
Volume	138
Issue number	16
Pages (from-to)	164315
ISSN	0021-9606
DOIs	https://doi.org/10.1063/1.4802054
Publication status	Published - 2013

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10.1063/1.4802054

JChemPhys 138 164315Final published version, 600 KB

http://jcp.aip.org.globalproxy.cvt.dk/resource/1/jcpsa6/v138/i16/p164315_s1

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abstract = "The valence ionization spectra covering the binding energy range 0-45 eV of alkali bromide XBr (X = Li, Na, K, Rb) vapors are studied within the framework of the propagator theory. Relativistic Algebraic Diagrammatic Construction calculations have been carried out in order to investigate photoionization processes and to describe molecular electronic structure. Theoretical results are compared with available experimental data.",

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T1 - Valence photoelectron spectra of alkali bromides calculated within the propagator theory

AU - Karpenko, Alexander

AU - Iablonskyi, Denys

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Y1 - 2013

N2 - The valence ionization spectra covering the binding energy range 0-45 eV of alkali bromide XBr (X = Li, Na, K, Rb) vapors are studied within the framework of the propagator theory. Relativistic Algebraic Diagrammatic Construction calculations have been carried out in order to investigate photoionization processes and to describe molecular electronic structure. Theoretical results are compared with available experimental data.

AB - The valence ionization spectra covering the binding energy range 0-45 eV of alkali bromide XBr (X = Li, Na, K, Rb) vapors are studied within the framework of the propagator theory. Relativistic Algebraic Diagrammatic Construction calculations have been carried out in order to investigate photoionization processes and to describe molecular electronic structure. Theoretical results are compared with available experimental data.

U2 - 10.1063/1.4802054

DO - 10.1063/1.4802054

M3 - Journal article

C2 - 23635146

SN - 0021-9606

VL - 138

SP - 164315

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 16

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Valence photoelectron spectra of alkali bromides calculated within the propagator theory

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