15 Publikationen
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2011 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2003194Koch, 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.22911PUB | DOI | WoS
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2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1588425Brodbeck, 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/jp710215uPUB | DOI | WoS | PubMed | Europe PMC
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2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1598770Andrae, 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/b601895ePUB | DOI | WoS
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2005 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1601918Koch, 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/s00214-005-0691-7PUB | DOI | WoS
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2004 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1605549Scott, 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/10.1088/0953-4075/37/22/005PUB | DOI | WoS
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2004 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1606337Scott, 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/s00200-004-0156-6PUB | DOI | WoS
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2002 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1613621Scott, 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/s002000200100PUB | DOI | WoS
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2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1617372Andrae, 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.1043PUB | DOI | WoS
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2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1617967Andrae, D. (2001). Numerical self-consistent field method for polyatomic molecules. MOLECULAR PHYSICS, 99(4), 327-334. https://doi.org/10.1080/00268970010012608PUB | DOI | WoS
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2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1620833Andrae, 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
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2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1620104Andrae, 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)00068-3PUB | DOI | WoS
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2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1618989Andrae, 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)00007-7PUB | DOI | WoS
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1627292Andrae, 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/10.1088/0953-4075/30/20/008PUB | DOI | WoS
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