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 TC, Aubert-Frecon M, Hadinger G, Andrae D, Grotendorst J, Morgan JD (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 TC, Aubert-Frecon M, Andrae D, Grotendorst J, Morgan JD, Glasser ML (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 TC, 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