BLAND
发表于 2025-4-1 05:33:33
Electron Structure of Molecules with Very Heavy Atoms Using Effective Core Potentials,ivistically. Before proceeding to that topic, however, it is desirable to review further the other approximations in the usual nonrelativistic treatments. Most serious are the approximations in the expression of the wave-function: (1) the basis functions and (2) the terms for electron correlation (usually via configuration interaction (CI)).
emulsify
发表于 2025-4-1 06:30:04
Lamb Shift in High-Z Atoms,ted in terms of a sum of one-electron Dirac Hamiltonians with an effective instantaneous external potential and a suitable form of the relativistic electron-electron interaction, such as the Breit interaction. Questions concerning the detailed formulation, methods of calculation, and associated problems are addressed in the accompanying papers.
nettle
发表于 2025-4-1 13:06:21
Relativistic Self-Consistent-Field Theory for Molecules,he relativistic quantum mechanics for an electron was developed by Dirac. and it differs from the Schrödinger theory by the fact that the wavefunction for an electron is a four-component spinor and that the spin of the electron is built into the theory from the beginning.
Tailor
发表于 2025-4-1 18:24:55
Electronic Structure of Molecules Using Relativistic Effective Core Potentials,hampered by (1) the increase in computational effort (by roughly N.) with the number of electrons (N) in heavier atoms and (2) the importance of relativistic effects, even on valence electrons, with increasing Z.
Small-Intestine
发表于 2025-4-1 18:59:09
Formulation of the Relativistic N-Electron Problem, time to the tricky arguments needed, and it is now time to remedy the deficiency. Indeed, while the view-point is very different from that adopted elsewhere in this volume by Sucher, the final conclusions are not all that different.