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Spin-state transition and spin-polaron physics in cobalt oxide perovskites: ab initio approach based on quantum chemical methods
Authors: Hozoi, L.; Birkenheuer, U.; Stoll, H.; Fulde, P.
Date of Publication (YYYY-MM-DD): 2009-02-11
Title of Journal: New Journal of Physics
Volume: 11
Sequence Number of Article: 023023
Document Type: Article
ID: 456281.0
Comparison of three quantum chemical ab initio methods for band structure calculations: the hydrogen fluoride chain
Authors: Bezugly, V.; Albrecht, M.; Birkenheuer, U.
Date of Publication (YYYY-MM-DD): 2008
Title of Journal: Journal of Physics Conference Series
Volume: 117
Start Page: 12006
End Page: 12006
Document Type: Article
ID: 402213.0
Is Eka-Mercury (Element 112) a Group 12 metal?
Authors: Gaston, N.; Opahle, I.; Gäggeler, H.; Schwerdtfeger, P.
Date of Publication (YYYY-MM-DD): 2007
Title of Journal: Angewandte Chemie (Internationale Edition)
Volume: 46
Issue / Number: 10
Start Page: 1663
End Page: 1666
Document Type: Article
ID: 289982.0
 
Full text / Content available
Renormalization of the quasiparticle hopping integrals
by spin interactions in layered copper oxides
Authors: Hozoi, L.; Nishimoto, S.; de Graaf, C.
Date of Publication (YYYY-MM-DD): 2007
Title of Journal: Physical Review B
Volume: 75
Issue / Number: 17
Sequence Number of Article: 174505
Document Type: Article
ID: 292032.0
 
Full text / Content available
Ab initio wave function-based methods for excited states in solids: Correlation corrections to the band structure of ionic oxides
Authors: Hozoi, L.; Birkenheuer, U.; Fulde, P.; Mitrushchenko, A.; Stoll, H.
Date of Publication (YYYY-MM-DD): 2007
Title of Journal: Physical Review B
Volume: 76
Issue / Number: 8
Sequence Number of Article: 085109
Document Type: Article
ID: 336006.0
A simplified method for the computation of correlation effects on the band structure of semiconductors
Authors: Birkenheuer, U.; Fulde, P.; Stoll, H.
Date of Publication (YYYY-MM-DD): 2006-09
Title of Journal: Theoretical Chemistry Accounts
Volume: 116
Issue / Number: 4-5
Start Page: 398
End Page: 403
Document Type: Article
ID: 299539.0
Frozen Local Hole Approximation
Authors: Pahl, E.; Birkenheuer, U.
Date of Publication (YYYY-MM-DD): 2006
Title of Journal: Journal of Chemical Physics
Volume: 124
Sequence Number of Article: 214101
Document Type: Article
ID: 248834.0
 
Full text / Content available
An incremental method for the calculation of the electron correlation energy in metals
Authors: Paulus, B.; Mitin, A.
Title of Book: Recent Progress in Computational Sciences and Engineering
Start Page: 935
End Page: 941
Place of Publication: Leiden
Publisher: BRILL
Date of Publication (YYYY-MM-DD): 2006
Document Type: InBook
ID: 281617.0
 
Full text / Content available
Ab initio Green's function formalism for band structures
Authors: Buth, C.; Birkenheuer, U.; Albrecht, M.; Fulde, P.
Date of Publication (YYYY-MM-DD): 2005-11
Title of Journal: Physical Review B
Volume: 72
Issue / Number: 19
Sequence Number of Article: 195107
Document Type: Article
ID: 265665.0
Model density approach to the Kohn-Sham problem: Efficient extension of the density fitting technique
Authors: Birkenheuer, U.; Gordienko, A. B.; Nasluzov, V. A.; Fuchs-Rohr, M. K.; Rösch, N.
Date of Publication (YYYY-MM-DD): 2005-04-20
Title of Journal: International Journal of Quantum Chemistry
Volume: 102
Issue / Number: 5
Start Page: 743
End Page: 761
Document Type: Article
ID: 265707.0
Entries: 1-10  
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