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. doi:10.1140/epjd/e2013-40191-5

  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. https://doi.org/10.1002/qua.22911

  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. https://doi.org/10.1021/jp710215u

  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. https://doi.org/10.1039/b601895e

  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. https://doi.org/10.1007/s00214-005-0691-7

  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. https://doi.org/10.1088/0953-4075/37/22/005

  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. https://doi.org/10.1007/s00200-004-0156-6

  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. https://doi.org/10.1007/s002000200100

  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. https://doi.org/10.1002/qua.1043

  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. https://doi.org/10.1080/00268970010012608

  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. https://doi.org/10.1002/(SICI)1097-461X(2000)76:4<473::AID-QUA1>3.0.CO;2-#

  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. https://doi.org/10.1016/S0009-2614(00)00068-3

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• [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. https://doi.org/10.1016/S0370-1573(00)00007-7

  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. https://doi.org/10.1088/0953-4075/30/20/008

  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