PUB - Publikationen an der Universität Bielefeld

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• [15]
  

  2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2622296

  Koch, V.; Andrae, D. (2013): Static electric dipole polarizabilities for isoelectronic sequences. II. Open-shell S states The European Physical Journal D,67:(7):139

  PUB | DOI | WoS
   
• [14]
  

  2011 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2003194

  Koch, V.; Andrae, D. (2011): Static Electric Dipole Polarizabilities for Isoelectronic Sequences International Journal of Quantum Chemistry,111:(4): 891-903.

  PUB | DOI | WoS
   
• [13]
  

  2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1588425

  Brodbeck, R.; Tönsing, T.; Andrae, D.; Volkmer, D. (2008): Molecular dynamics simulations of dendrimer-encapsulated alpha-keggin ions in trichloromethane solution JOURNAL OF PHYSICAL CHEMISTRY B,112:(16): 5153-5162.

  PUB | DOI | WoS | PubMed | Europe PMC
   
• [12]
  

  2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1598770

  Andrae, D. (2006): Molecular knots, links, and fabrics: prediction of existence and suggestion of a synthetic route NEW JOURNAL OF CHEMISTRY,30:(6): 873-882.

  PUB | DOI | WoS
   
• [11]
  

  2005 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1601918

  Koch, V.; Andrae, D. (2005): Discrete contributions to static dipole polarizabilities of excited bound states of non-relativistic hydrogen-like atoms THEORETICAL CHEMISTRY ACCOUNTS,114:(4-5): 380-386.

  PUB | DOI | WoS
   
• [10]
  

  2004 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1605549

  Scott, T. C.; Aubert-Frecon, M.; Hadinger, G.; Andrae, D.; Grotendorst, J.; Morgan, J. D. (2004): Asymptotically exact calculation of the exchange energies of one-active-electron diatomic ions with the surface integral method JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS,37:(22): 4451-4469.

  PUB | DOI | WoS
   
• [9]
  

  2004 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1606337

  Scott, T. C.; Aubert-Frecon, M.; Andrae, D.; Grotendorst, J.; Morgan, J. D.; Glasser, M. L. (2004): Exchange energy for two-active-electron diatomic systems within the surface integral method APPLICABLE ALGEBRA IN ENGINEERING COMMUNICATION AND COMPUTING,15:(2): 101-128.

  PUB | DOI | WoS
   
• [8]
  

  2002 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1613621

  Scott, T. C.; Aubert-Frecon, M.; Andrae, D. (2002): Asymptotics of quantum mechanical atom-ion systems APPLICABLE ALGEBRA IN ENGINEERING COMMUNICATION AND COMPUTING,13:(3): 233-255.

  PUB | DOI | WoS
   
• [7]
  

  2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1617372

  Andrae, D.; Brodbeck, R.; Hinze, J. (2001): Examination of several density functionals in numerical Kohn-Sham calculations for atoms INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,82:(5): 227-241.

  PUB | DOI | WoS
   
• [6]
  

  2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1617967

  Andrae, D. (2001): Numerical self-consistent field method for polyatomic molecules MOLECULAR PHYSICS,99:(4): 327-334.

  PUB | DOI | WoS
   
• [5]
  

  2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1620833

  Andrae, D.; Reiher, M.; Hinze, J. (2000): Numerical electronic structure calculations for atoms. II. Generalized variable transformation and relativistic calculations INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,76:(4): 473-499.

  PUB | DOI | WoS
   
• [4]
  

  2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1620104

  Andrae, D.; Reiher, M.; Hinze, J. (2000): A comparative study of finite nucleus models far low-lying states of few-electron high-Z atoms CHEMICAL PHYSICS LETTERS,320:(5-6): 457-468.

  PUB | DOI | WoS
   
• [3]
  

  2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1618989

  Andrae, D. (2000): Finite nuclear charge density distributions in electronic structure calculations for atoms and molecules PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS,336:(6): 413-525.

  PUB | DOI | WoS
   
• [2]
  

  1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1627292

  Andrae, D. (1997): Recursive evaluation of expectation values (r(k)) for arbitrary states of the relativistic one-electron atom JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS,30:(20): 4435-4451.

  PUB | DOI | WoS
   
• [1]
  

  1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1637328

  Andrae, D.; Hinze, J. (1997): Numerical electronic structure calculations for atoms .1. Generalized variable transformation and nonrelativistic calculations INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,63:(1): 65-91.

  PUB | WoS