15 Publikationen
-
2013 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2622296Static electric dipole polarizabilities for isoelectronic sequences. II. Open-shell S statesPUB | DOI | WoS
Koch, Volker, Static electric dipole polarizabilities for isoelectronic sequences. II. Open-shell S states. The European Physical Journal D 67 (7). , 2013 -
2011 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2003194Static Electric Dipole Polarizabilities for Isoelectronic SequencesPUB | DOI | WoS
Koch, Volker, Static Electric Dipole Polarizabilities for Isoelectronic Sequences. International Journal of Quantum Chemistry 111 (4). , 2011 -
2008 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1588425Molecular dynamics simulations of dendrimer-encapsulated alpha-keggin ions in trichloromethane solutionPUB | DOI | WoS | PubMed | Europe PMC
Brodbeck, Ralf, Molecular dynamics simulations of dendrimer-encapsulated alpha-keggin ions in trichloromethane solution. JOURNAL OF PHYSICAL CHEMISTRY B 112 (16). , 2008 -
2006 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1598770Molecular knots, links, and fabrics: prediction of existence and suggestion of a synthetic routePUB | DOI | WoS
Andrae, Dirk, Molecular knots, links, and fabrics: prediction of existence and suggestion of a synthetic route. NEW JOURNAL OF CHEMISTRY 30 (6). , 2006 -
2005 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1601918Discrete contributions to static dipole polarizabilities of excited bound states of non-relativistic hydrogen-like atomsPUB | DOI | WoS
Koch, V, Discrete contributions to static dipole polarizabilities of excited bound states of non-relativistic hydrogen-like atoms. THEORETICAL CHEMISTRY ACCOUNTS 114 (4-5). , 2005 -
2004 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1605549Asymptotically exact calculation of the exchange energies of one-active-electron diatomic ions with the surface integral methodPUB | DOI | WoS
Scott, TC, 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 -
2004 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1606337Exchange energy for two-active-electron diatomic systems within the surface integral methodPUB | DOI | WoS
Scott, TC, Exchange energy for two-active-electron diatomic systems within the surface integral method. APPLICABLE ALGEBRA IN ENGINEERING COMMUNICATION AND COMPUTING 15 (2). , 2004 -
2002 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1613621Asymptotics of quantum mechanical atom-ion systemsPUB | DOI | WoS
Scott, TC, Asymptotics of quantum mechanical atom-ion systems. APPLICABLE ALGEBRA IN ENGINEERING COMMUNICATION AND COMPUTING 13 (3). , 2002 -
2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1617372Examination of several density functionals in numerical Kohn-Sham calculations for atomsPUB | DOI | WoS
Andrae, Dirk, Examination of several density functionals in numerical Kohn-Sham calculations for atoms. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 82 (5). , 2001 -
2001 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1617967Numerical self-consistent field method for polyatomic moleculesPUB | DOI | WoS
Andrae, Dirk, Numerical self-consistent field method for polyatomic molecules. MOLECULAR PHYSICS 99 (4). , 2001 -
2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1620833Numerical electronic structure calculations for atoms. II. Generalized variable transformation and relativistic calculationsPUB | DOI | WoS
Andrae, Dirk, Numerical electronic structure calculations for atoms. II. Generalized variable transformation and relativistic calculations. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 76 (4). , 2000 -
2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1620104A comparative study of finite nucleus models far low-lying states of few-electron high-Z atomsPUB | DOI | WoS
Andrae, Dirk, A comparative study of finite nucleus models far low-lying states of few-electron high-Z atoms. CHEMICAL PHYSICS LETTERS 320 (5-6). , 2000 -
2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1618989Finite nuclear charge density distributions in electronic structure calculations for atoms and moleculesPUB | DOI | WoS
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 -
1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1627292Recursive evaluation of expectation values (r(k)) for arbitrary states of the relativistic one-electron atomPUB | DOI | WoS
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 -
1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1637328Numerical electronic structure calculations for atoms .1. Generalized variable transformation and nonrelativistic calculationsPUB | WoS
Andrae, Dirk, Numerical electronic structure calculations for atoms .1. Generalized variable transformation and nonrelativistic calculations. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 63 (1). , 1997