PUB - Publikationen an der Universität Bielefeld

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• [15]
  

  2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2622296

  Koch, Volker, and Andrae, Dirk. “Static electric dipole polarizabilities for isoelectronic sequences. II. Open-shell S states”. The European Physical Journal D 67.7 (2013): 139.

  PUB | DOI | WoS
   
• [14]
  

  2011 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2003194

  Koch, Volker, and Andrae, Dirk. “Static Electric Dipole Polarizabilities for Isoelectronic Sequences”. International Journal of Quantum Chemistry 111.4 (2011): 891-903.

  PUB | DOI | WoS
   
• [13]
  

  2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1588425

  Brodbeck, Ralf, Tönsing, Thorsten, Andrae, Dirk, and Volkmer, Dirk. “Molecular dynamics simulations of dendrimer-encapsulated alpha-keggin ions in trichloromethane solution”. JOURNAL OF PHYSICAL CHEMISTRY B 112.16 (2008): 5153-5162.

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

  2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1598770

  Andrae, Dirk. “Molecular knots, links, and fabrics: prediction of existence and suggestion of a synthetic route”. NEW JOURNAL OF CHEMISTRY 30.6 (2006): 873-882.

  PUB | DOI | WoS
   
• [11]
  

  2005 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1601918

  Koch, V, and Andrae, Dirk. “Discrete contributions to static dipole polarizabilities of excited bound states of non-relativistic hydrogen-like atoms”. THEORETICAL CHEMISTRY ACCOUNTS 114.4-5 (2005): 380-386.

  PUB | DOI | WoS
   
• [10]
  

  2004 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1605549

  Scott, TC, Aubert-Frecon, M, Hadinger, G, Andrae, Dirk, Grotendorst, J, and Morgan, JD. “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 (2004): 4451-4469.

  PUB | DOI | WoS
   
• [9]
  

  2004 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1606337

  Scott, TC, Aubert-Frecon, M, Andrae, Dirk, Grotendorst, J, Morgan, JD, and Glasser, ML. “Exchange energy for two-active-electron diatomic systems within the surface integral method”. APPLICABLE ALGEBRA IN ENGINEERING COMMUNICATION AND COMPUTING 15.2 (2004): 101-128.

  PUB | DOI | WoS
   
• [8]
  

  2002 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1613621

  Scott, TC, Aubert-Frecon, M, and Andrae, Dirk. “Asymptotics of quantum mechanical atom-ion systems”. APPLICABLE ALGEBRA IN ENGINEERING COMMUNICATION AND COMPUTING 13.3 (2002): 233-255.

  PUB | DOI | WoS
   
• [7]
  

  2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1617372

  Andrae, Dirk, Brodbeck, R, and Hinze, J. “Examination of several density functionals in numerical Kohn-Sham calculations for atoms”. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 82.5 (2001): 227-241.

  PUB | DOI | WoS
   
• [6]
  

  2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1617967

  Andrae, Dirk. “Numerical self-consistent field method for polyatomic molecules”. MOLECULAR PHYSICS 99.4 (2001): 327-334.

  PUB | DOI | WoS
   
• [5]
  

  2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1620833

  Andrae, Dirk, Reiher, M, and Hinze, J. “Numerical electronic structure calculations for atoms. II. Generalized variable transformation and relativistic calculations”. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 76.4 (2000): 473-499.

  PUB | DOI | WoS
   
• [4]
  

  2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1620104

  Andrae, Dirk, Reiher, M, and Hinze, J. “A comparative study of finite nucleus models far low-lying states of few-electron high-Z atoms”. CHEMICAL PHYSICS LETTERS 320.5-6 (2000): 457-468.

  PUB | DOI | WoS
   
• [3]
  

  2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1618989

  Andrae, Dirk. “Finite nuclear charge density distributions in electronic structure calculations for atoms and molecules”. PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS 336.6 (2000): 413-525.

  PUB | DOI | WoS
   
• [2]
  

  1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1627292

  Andrae, Dirk. “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 (1997): 4435-4451.

  PUB | DOI | WoS
   
• [1]
  

  1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1637328

  Andrae, Dirk, and Hinze, J. “Numerical electronic structure calculations for atoms .1. Generalized variable transformation and nonrelativistic calculations”. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 63.1 (1997): 65-91.

  PUB | WoS