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Bustad, Johnny
Publications (10 of 23) Show all publications
Persson, P., Bustad, J. & Zerner, M. (2000). INDO calculations of small copper clusters and CO adsorbed on copper(100) surfaces. Journal of Computational Chemistry, 21(14), 1221-1228
Open this publication in new window or tab >>INDO calculations of small copper clusters and CO adsorbed on copper(100) surfaces
2000 (English)In: Journal of Computational Chemistry, ISSN 0192-8651, E-ISSN 1096-987X, Vol. 21, no 14, p. 1221-1228Article in journal (Refereed) Published
Abstract [en]

A new parameterization for copper at the INDO/CI level is presented. Results for excitation energies, ionization potentials, and electron detachment energies are presented for selected copper clusters with up to ten atoms. The parameterization gives improved results for calculations of spectroscopic properties for systems with significant copper-copper interactions, such as clusters and model surfaces. Results for the Ols shakeup of CO attached to Cu(100) model surfaces for the new parameters are compared with experiments and with results obtained using the standard parameters.

National Category
Natural Sciences
Identifiers
urn:nbn:se:hig:diva-1195 (URN)10.1002/1096-987X(20001115)21 (DOI)000089367100001 ()
Available from: 2008-01-15 Created: 2008-01-15 Last updated: 2018-03-13Bibliographically approved
Bustad, J. (1999). Review of : Physics by computer. Programming of physical problems using Mathematica and C: by CW Kinzel/G Reents, Springer-Verlag [Review]. Elementa : tidskrift för matematik, fysik och kemi, 82, 100
Open this publication in new window or tab >>Review of : Physics by computer. Programming of physical problems using Mathematica and C: by CW Kinzel/G Reents, Springer-Verlag
1999 (Swedish)In: Elementa : tidskrift för matematik, fysik och kemi, ISSN 0013-5933, Vol. 82, p. 100-Article, book review (Other (popular science, discussion, etc.)) Published
Identifiers
urn:nbn:se:hig:diva-1212 (URN)
Available from: 2008-01-15 Created: 2008-01-15 Last updated: 2018-03-13Bibliographically approved
Bustad, J. (1999). Review of : Physics with answers, 500 problems and solutions: by AR King/O Regev, Cambridge Univ. Press [Review]. Elementa : tidskrift för matematik, fysik och kemi, 82, 97
Open this publication in new window or tab >>Review of : Physics with answers, 500 problems and solutions: by AR King/O Regev, Cambridge Univ. Press
1999 (Swedish)In: Elementa : tidskrift för matematik, fysik och kemi, ISSN 0013-5933, Vol. 82, p. 97-Article, book review (Other (popular science, discussion, etc.)) Published
Identifiers
urn:nbn:se:hig:diva-1211 (URN)
Available from: 2008-01-15 Created: 2008-01-15 Last updated: 2018-03-13Bibliographically approved
Bustad, J. & Lunell, C. (1998). Semi-empirical configurational interaction calculation of shake-up satellites in Ni(CO)4. International Journal of Quantum Chemistry, 69(5), 649-657
Open this publication in new window or tab >>Semi-empirical configurational interaction calculation of shake-up satellites in Ni(CO)4
1998 (English)In: International Journal of Quantum Chemistry, ISSN 0020-7608, E-ISSN 1097-461X, International journal of Quantum Chemistry, Vol. 69, no 5, p. 649-657Article in journal (Refereed) Published
Abstract [en]

INDO/CI calculations were used to analyze the C1s and O1s shake-up spectra of nickel tetracarbonyl, Ni(CO)4. The satellite structure in both cases is dominated by excitations from metal–ligand bonding (2Πb) to metal–ligand antibonding (2Πa) orbitals and by excitations within the core-ionized CO molecule, ΠCO—Π*CO.

National Category
Natural Sciences
Identifiers
urn:nbn:se:hig:diva-1194 (URN)10.1002/(SICI)1097-461X(1998)69:5<649::AID-QUA3>3.0.CO;2-V (DOI)
Available from: 2008-06-16 Created: 2008-06-16 Last updated: 2018-03-13Bibliographically approved
Bustad, J. & Lun, S. (1996). A theoretical study of the C1s shake-up spectrum of Benzene adsorbed on Copper(100) surfaces. Gävle: Högskolan i Gävle
Open this publication in new window or tab >>A theoretical study of the C1s shake-up spectrum of Benzene adsorbed on Copper(100) surfaces
1996 (English)Report (Other academic)
Place, publisher, year, edition, pages
Gävle: Högskolan i Gävle, 1996. p. 38
Series
Working Paper, ISSN 1102-5476 ; 40
National Category
Natural Sciences
Identifiers
urn:nbn:se:hig:diva-1202 (URN)
Available from: 2008-01-15 Created: 2008-01-15 Last updated: 2018-03-13Bibliographically approved
Bustad, J. (1996). An X-ray emission spectroscopy study of CO adsorbed on Ni(100) and Cu(100). Gävle: Högskolan i Gävle
Open this publication in new window or tab >>An X-ray emission spectroscopy study of CO adsorbed on Ni(100) and Cu(100)
1996 (English)Report (Other academic)
Place, publisher, year, edition, pages
Gävle: Högskolan i Gävle, 1996. p. 39
Series
Working Paper, ISSN 1102-5476 ; 41
Identifiers
urn:nbn:se:hig:diva-1203 (URN)
Available from: 2008-01-15 Created: 2008-01-15 Last updated: 2018-03-13Bibliographically approved
Bustad, J. (1996). CO adsorption on Cu(100) systems: A theoretical shake-up study. Gävle: Högskolan i Gävle
Open this publication in new window or tab >>CO adsorption on Cu(100) systems: A theoretical shake-up study
1996 (English)Report (Other academic)
Place, publisher, year, edition, pages
Gävle: Högskolan i Gävle, 1996. p. 45
Series
Working Paper, ISSN 1102-5476 ; 38
National Category
Natural Sciences
Identifiers
urn:nbn:se:hig:diva-1200 (URN)
Available from: 2008-01-15 Created: 2008-01-15 Last updated: 2018-03-13Bibliographically approved
Bustad, J. (1996). CO Adsorption on Cu(l00) Systems: A Theoretical Shake-Up Study. Gävle: Högskolan i Gävle/Sandviken
Open this publication in new window or tab >>CO Adsorption on Cu(l00) Systems: A Theoretical Shake-Up Study
1996 (English)Report (Other academic)
Place, publisher, year, edition, pages
Gävle: Högskolan i Gävle/Sandviken, 1996. p. 14
Series
Working Paper / Högskolan Gävle-Sandviken, ISSN 1102-5476 ; 38
National Category
Chemical Sciences
Identifiers
urn:nbn:se:hig:diva-28542 (URN)
Available from: 2018-11-19 Created: 2018-11-19 Last updated: 2018-11-19Bibliographically approved
Bustad, J. (1996). Review of : Problems in Quantum Mechanics: by GL Squires, Cambridge Univ. Press [Review]. Elementa : tidskrift för matematik, fysik och kemi, 79, 168
Open this publication in new window or tab >>Review of : Problems in Quantum Mechanics: by GL Squires, Cambridge Univ. Press
1996 (Swedish)In: Elementa : tidskrift för matematik, fysik och kemi, ISSN 0013-5933, Vol. 79, p. 168-Article, book review (Other (popular science, discussion, etc.)) Published
Identifiers
urn:nbn:se:hig:diva-1210 (URN)
Available from: 2008-01-15 Created: 2008-01-15 Last updated: 2018-03-13Bibliographically approved
Bustad, J. & Lunell, S. (1996). Semi-empirical configurational interaction calculations of XPS shake-up satellites in Ni(CO)₄. Gävle: Högskolan i Gävle
Open this publication in new window or tab >>Semi-empirical configurational interaction calculations of XPS shake-up satellites in Ni(CO)₄
1996 (English)Report (Other academic)
Place, publisher, year, edition, pages
Gävle: Högskolan i Gävle, 1996. p. 29
Series
Working Paper, ISSN 1102-5476 ; 36
National Category
Natural Sciences
Identifiers
urn:nbn:se:hig:diva-1198 (URN)
Available from: 2008-01-15 Created: 2008-01-15 Last updated: 2018-03-13Bibliographically approved
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