15 Publikationen

Alle markieren

[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). Springer Science + Business Media. 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. Wiley-Blackwell. doi: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. AMER CHEMICAL SOC. doi: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. ROYAL SOC CHEMISTRY. doi: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. SPRINGER. doi: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. IOP PUBLISHING LTD. doi: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. SPRINGER. doi: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. SPRINGER-VERLAG. doi: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. JOHN WILEY & SONS INC. doi: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. TAYLOR & FRANCIS LTD. doi: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. JOHN WILEY & SONS INC. doi: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. ELSEVIER SCIENCE BV. doi:10.1016/S0009-2614(00)00068-3.
PUB | DOI | WoS
 
[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. ELSEVIER SCIENCE BV. doi: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. IOP PUBLISHING LTD. doi: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. JOHN WILEY & SONS INC.
PUB | WoS
 

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15 Publikationen

Alle markieren

[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). Springer Science + Business Media. 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. Wiley-Blackwell. doi: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. AMER CHEMICAL SOC. doi: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. ROYAL SOC CHEMISTRY. doi: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. SPRINGER. doi: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. IOP PUBLISHING LTD. doi: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. SPRINGER. doi: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. SPRINGER-VERLAG. doi: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. JOHN WILEY & SONS INC. doi: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. TAYLOR & FRANCIS LTD. doi: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. JOHN WILEY & SONS INC. doi: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. ELSEVIER SCIENCE BV. doi:10.1016/S0009-2614(00)00068-3.
PUB | DOI | WoS
 
[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. ELSEVIER SCIENCE BV. doi: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. IOP PUBLISHING LTD. doi: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. JOHN WILEY & SONS INC.
PUB | WoS
 

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Zitationsstil: dgps

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