PUB - Publikationen an der Universität Bielefeld

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• [15]
  

  2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2622296

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

  PUB | DOI | WoS
   
• [14]
  

  2011 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2003194

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

  PUB | DOI | WoS
   
• [13]
  

  2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1588425

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

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

  2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1598770

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

  PUB | DOI | WoS
   
• [11]
  

  2005 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1601918

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

  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.: 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, 4451-4469 (2004).

  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.: Exchange energy for two-active-electron diatomic systems within the surface integral method. APPLICABLE ALGEBRA IN ENGINEERING COMMUNICATION AND COMPUTING. 15, 101-128 (2004).

  PUB | DOI | WoS
   
• [8]
  

  2002 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1613621

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

  PUB | DOI | WoS
   
• [7]
  

  2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1617372

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

  PUB | DOI | WoS
   
• [6]
  

  2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1617967

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

  PUB | DOI | WoS
   
• [5]
  

  2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1620833

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

  PUB | DOI | WoS
   
• [4]
  

  2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1620104

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

  PUB | DOI | WoS
   
• [3]
  

  2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1618989

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

  PUB | DOI | WoS
   
• [2]
  

  1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1627292

  Andrae, D.: 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, 4435-4451 (1997).

  PUB | DOI | WoS
   
• [1]
  

  1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1637328

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

  PUB | WoS