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. 2013;67(7): 139.

  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. 2011;111(4):891-903.

  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. 2008;112(16):5153-5162.

  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. 2006;30(6):873-882.

  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. 2005;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. 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. 2004;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. Exchange energy for two-active-electron diatomic systems within the surface integral method. APPLICABLE ALGEBRA IN ENGINEERING COMMUNICATION AND COMPUTING. 2004;15(2):101-128.

  PUB | DOI | WoS
   
• [8]
  

  2002 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1613621

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

  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. 2001;82(5):227-241.

  PUB | DOI | WoS
   
• [6]
  

  2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1617967

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

  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. 2000;76(4):473-499.

  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. 2000;320(5-6):457-468.

  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. 2000;336(6):413-525.

  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. 1997;30(20):4435-4451.

  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. 1997;63(1):65-91.

  PUB | WoS