Direct SCF direct static-exchange calculations of electronic spectra

Hans Ågren; Vincenzo Carravetta; Olav Vahtras; Lars G.M. Pettersson

doi:10.1007/s002140050234

Direct SCF direct static-exchange calculations of electronic spectra

Hans Ågren^*
, Vincenzo Carravetta
, Olav Vahtras
, Lars G.M. Pettersson

^*Corresponding author for this work

Linköping University
National Research Council of Italy
Stockholm University

Research output: Contribution to journal › Article › peer-review

174 Scopus citations

Abstract

Applications of the direct SCF direct static-exchange method are reviewed for three different types of systems (free molecules, polymers, and surface adsorbates) and for six types of spectroscopy (X-ray absorption-, -emission-, and -shake-up spectroscopy, ultraviolet photoelectron emission, X-ray Raman and circular dichroism spectroscopy.

Original language	English
Pages (from-to)	14-40
Number of pages	27
Journal	Theoretical Chemistry Accounts
Volume	97
Issue number	1-4
DOIs	https://doi.org/10.1007/s002140050234
State	Published - Oct 1997
Externally published	Yes

Keywords

Adsorbates
Direct methods
Excited states
Oligomers
X-ray spectra

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10.1007/s002140050234

Cite this

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title = "Direct SCF direct static-exchange calculations of electronic spectra",

abstract = "Applications of the direct SCF direct static-exchange method are reviewed for three different types of systems (free molecules, polymers, and surface adsorbates) and for six types of spectroscopy (X-ray absorption-, -emission-, and -shake-up spectroscopy, ultraviolet photoelectron emission, X-ray Raman and circular dichroism spectroscopy.",

keywords = "Adsorbates, Direct methods, Excited states, Oligomers, X-ray spectra",

author = "Hans {\AA}gren and Vincenzo Carravetta and Olav Vahtras and Pettersson, \{Lars G.M.\}",

year = "1997",

month = oct,

doi = "10.1007/s002140050234",

language = "英语",

volume = "97",

pages = "14--40",

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issn = "1432-881X",

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T1 - Direct SCF direct static-exchange calculations of electronic spectra

AU - Ågren, Hans

AU - Carravetta, Vincenzo

AU - Vahtras, Olav

AU - Pettersson, Lars G.M.

PY - 1997/10

Y1 - 1997/10

N2 - Applications of the direct SCF direct static-exchange method are reviewed for three different types of systems (free molecules, polymers, and surface adsorbates) and for six types of spectroscopy (X-ray absorption-, -emission-, and -shake-up spectroscopy, ultraviolet photoelectron emission, X-ray Raman and circular dichroism spectroscopy.

AB - Applications of the direct SCF direct static-exchange method are reviewed for three different types of systems (free molecules, polymers, and surface adsorbates) and for six types of spectroscopy (X-ray absorption-, -emission-, and -shake-up spectroscopy, ultraviolet photoelectron emission, X-ray Raman and circular dichroism spectroscopy.

KW - Adsorbates

KW - Direct methods

KW - Excited states

KW - Oligomers

KW - X-ray spectra

UR - https://www.scopus.com/pages/publications/0031253613

U2 - 10.1007/s002140050234

DO - 10.1007/s002140050234

M3 - 文章

AN - SCOPUS:0031253613

SN - 1432-881X

VL - 97

SP - 14

EP - 40

JO - Theoretical Chemistry Accounts

JF - Theoretical Chemistry Accounts

IS - 1-4

ER -

Direct SCF direct static-exchange calculations of electronic spectra

Abstract

Keywords

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