Artikel
Open Access
Towards relativistic ECP / DFT description of chemical bonding in E112 compounds: spin-orbit and correlation effects in E112X versus HgX (X=H, Au)
-
Andréi Zaitsevskii
,
Elena Rykova
Veröffentlicht/Copyright:
1. Dezember 2006
Published Online: 2006-12-1
Published in Print: 2006-12-1
© 2006 Versita Warsaw
Artikel in diesem Heft
- Radionuclides in deposition in the Ignalina NPP region in 2005
- The application of practical Kedem-Katchalsky equations in membrane transport
- Field and dipole squeezing in a driven degenerate Λ quantum-beat system
- Towards relativistic ECP / DFT description of chemical bonding in E112 compounds: spin-orbit and correlation effects in E112X versus HgX (X=H, Au)
- Heisenberg-type ferromagnetic films with a sandwich structure
- The effect of pressure on the elastic constants of Cu, Ag and Au: a molecular dynamics study
- Atomic simulation of the vacancies in BCC metals with MAEAM
- NIR photoresponse in the mixed phthalocyanine films
- Cosmological perturbations in FRW model with scalar field within Hamilton-Jacobi formalism and symplectic projector method
- From the Hamiltonian to the Lagrangean formalism for 1-reducible theories. The Freedman-Townsend model
- Simulating a perpendicular exchange-biased structure with a partially covering nonmagnetic insertion at the FM/AFM interface
Schlagwörter für diesen Artikel
Superheavy elements;
relativistic electronic structure calculations;
effective core potentials;
31.10.+z;
31.15.Ar;
31.15.Ew;
31.25.Nj;
33.15.-e;
31.30.Jv;
33.15.Fm
Creative Commons
BY-NC-ND 3.0
Artikel in diesem Heft
- Radionuclides in deposition in the Ignalina NPP region in 2005
- The application of practical Kedem-Katchalsky equations in membrane transport
- Field and dipole squeezing in a driven degenerate Λ quantum-beat system
- Towards relativistic ECP / DFT description of chemical bonding in E112 compounds: spin-orbit and correlation effects in E112X versus HgX (X=H, Au)
- Heisenberg-type ferromagnetic films with a sandwich structure
- The effect of pressure on the elastic constants of Cu, Ag and Au: a molecular dynamics study
- Atomic simulation of the vacancies in BCC metals with MAEAM
- NIR photoresponse in the mixed phthalocyanine films
- Cosmological perturbations in FRW model with scalar field within Hamilton-Jacobi formalism and symplectic projector method
- From the Hamiltonian to the Lagrangean formalism for 1-reducible theories. The Freedman-Townsend model
- Simulating a perpendicular exchange-biased structure with a partially covering nonmagnetic insertion at the FM/AFM interface
