검색결과 : 7건
| No. | Article |
|---|---|
| 1 |
Four-component relativistic density functional calculations of heavy diatomic molecules Varga S, Fricke B, Nakamatsu H, Mukoyama T, Anton J, Geschke D, Heitmann A, Engel E, Bastug T Journal of Chemical Physics, 112(8), 3499, 2000 |
| 2 |
Ab initio relativistic pseudopotential study of small silver and gold sulfide clusters (M2S)(n), n = 1 and 2 Bagatur'yants AA, Safonov AA, Stoll H, Werner HJ Journal of Chemical Physics, 109(8), 3096, 1998 |
| 3 |
The Zero-Order Regular Approximation for Relativistic Effects - The Effect of Spin-Orbit-Coupling in Closed-Shell Molecules Vanlenthe E, Snijders JG, Baerends EJ Journal of Chemical Physics, 105(15), 6505, 1996 |
| 4 |
A Relativistic Kohn-SHAM Density-Functional Procedure by Means of Direct Perturbation-Theory Vanwullen C Journal of Chemical Physics, 103(9), 3589, 1995 |
| 5 |
Pt3Au and Ptau Clusters - Electronic States and Potential-Energy Surfaces Dai D, Balasubramanian K Journal of Chemical Physics, 100(6), 4401, 1994 |
| 6 |
A Comparison of Photoelectron-Spectroscopy and 2-Photon Ionization Spectroscopy - Excited-States of Au-2, Au-3, and Au-4 Handschuh H, Gantefor G, Bechthold PS, Eberhardt W Journal of Chemical Physics, 100(10), 7093, 1994 |
| 7 |
Relativistic Total-Energy Using Regular Approximations Vanlenthe E, Baerends EJ, Snijders JG Journal of Chemical Physics, 101(11), 9783, 1994 |