Contribution to a conference proceedings/Contribution to a book Müller, T.FZJ*
Modern Electron Correlation Methods in Quantum Chemistry
2006Computational Condensed Matter Physics : Lecture Manuscripts of the 37th Spring School of the Institute of Solid State Research ; this spring school was organized by the Institute of Solid State Research in the Forschungszentrum Jülich on March 6 -17, 2006 / ed.: S. Blügel, G. Gompper, E. Koch, H. Müller-Krumbhaar, R. Spatschek, R. G. Winkler. - Jülich, 2006. - (Schriften des Forschungszentrums Jülich . Reihe Materie und Material / Matter and Material ; 32). - 3-89336-430-7. - S. A10.1 - A10.15 BibTeX | EndNote: XML, Text | RIS

Contribution to a book Müller, T.FZJ*
Basis Sets, Accuracy, and Calibration in Quantum Chemistry
2006NIC Series Volume 31 : Computational Nanoscience: Do It Yourself!Lecture Notes, Johannes Grotendorst, Stefan Blügel, Dominik Marx, chapter 2, p. 19-43, Jülich : John von Neumann Institute for Computing, 2006. ISBN: 3-00-017350-1 Jülich : John von Neumann Institute for Computing, NIC series 31, 19-43 (2006)2006 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Baric, D. ; Kovacevic, B. ; Maksic, Z. B. ; Müller, T.FZJ*
A Novel Approach in Analyzing Aromaticity by Homo- and Isostructural Reactions: An ab Initio Study of Fluorobenzenes
The journal of physical chemistry <Washington, DC> / A 109, 10594 (2005) [10.1021/jp0532871]2005 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Watanabe, N. ; Kamata, Y. ; Yamauchi, K. ; Udagawa, Y. ; Müller, T.FZJ*
Coulomb hole in N2, CO and O2 deduced from X-ray scattering cross-sections
Molecular physics 102, 649 - 657 (2004) [10.1080/0026897041001695697]2004 BibTeX | EndNote: XML, Text | RIS

Journal Article do Monte, S. A. ; Müller, T.FZJ* ; Dallos, M. ; Lischka, H. ; Diedenhofen, M. ; Klamt, A.
Solvent effects in electronically excited states using the continuum solvation model COSMO in combination with multireference configuration interaction with single and doubles (MR-CISD)
Theoretical chemistry accounts 111, (2004) [10.1007/s00214-003-0530-7]2004 BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Müller, T.FZJ*
Parallel DFT in TURBOMOLE, Linear Algebra
2004High Performance Computing in Chemistry / ed.: J. Grotendorst. - Jülich, FZJ, John von Neumann Institute for Computing, 2004. - (NIC series ; 25). - 3-00-013618-5. - S. 83 - 107 BibTeX | EndNote: XML, Text | RIS

Journal Article Kovacevic, B. ; Baric, D. ; Maksic, Z. ; Müller, T.FZJ*
The Origin of Aromaticity: Important Role of the Sigma Framework in Benzene
ChemPhysChem 5, 1352 - 1364 (2004) [10.1002/cphc.200400061]2004 BibTeX | EndNote: XML, Text | RIS

Journal Article Kovacevic, B. ; Baric, D. ; Maksic, Z. ; Müller, T.FZJ*
Dominant Role of the pi Framework in Cyclobutadiene
The journal of physical chemistry <Washington, DC> / A 108, 9126 - 9133 (2004) [10.1021/jp0489626]2004 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Wirtz, L. ; Burgdorfer, J. ; Dallos, M. ; Müller, T.FZJ* ; Lischka, H.
Potential-energy surfaces for charge exchange between singly charged ions and a LiF surface
Physical review / A 68(3), 032902 (2003) [10.1103/PhysRevA.68.032902]2003 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Antol, I. ; Eckert-Maksic, M. ; Müller, T.FZJ* ; Dallos, M. ; Lischka, H.
Valence and Rydberg states of protonated formaldehyde
Chemical physics letters 374, 587 - 593 (2003) [10.1016/0009-2614(03)00770-X]2003 BibTeX | EndNote: XML, Text | RIS

Journal Article doMonte, S. A. ; Dallos, M. ; Müller, T.FZJ* ; Lischka, H.
MR-CISD and MR-AQCC calculation of excited states of Malonaldehyde: Geometry optimizations using analytical energy gradient methods and a systematic investigation of reference configuration sets
Collection of Czechoslovak chemical communications 68, 447 - 462 (2003) [10.1135/cccc20030447]2003 BibTeX | EndNote: XML, Text | RIS

Journal Article Watanabe, N. ; Yamauchi, K. ; Kamata, Y. ; Udagawa, Y. ; Müller, T.FZJ*
Electron correlation effects in N2 and CO studied by X-ray scattering and CISD calculations
Molecular physics 100, 2839 - 2847 (2002) [10.1080/00268970210125359]2002 BibTeX | EndNote: XML, Text | RIS

Thomas Müller's publications

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