The Effects of Relativity in Atoms, Molecules, and the Solid StateStephen Wilson, I. P. Grant, B. L. Györffy Relativistic Effects on Periodic Trends.- Atoms.- Relativistic Atomic Structure and Electron-Atom Collisions.- On the Accuracy of Oscillator Strengths.- Atomic Structure Calculations in Breit-Pauli Approximation.- Relativistic Calculations of Parity Non-Conserving Effects in Atoms.- High Precision Relativistic Atomic Structure Calculations Using the Finite Basis Set Approximation.- Relativistic Calculations of Electron Impact Ionisation Cross-Sections of Highly Charged Ions.- Molecules.- Nonsingular Relativistic Perturbation Theory and Relativistic Changes of Molecular Structure.- Basis Set Expansion Dirac-Fock SCF Calculations and MBPT Refinement.- Comments.- Polyatomic Molecular Dirac-Hartree-Fock Calculations with Gaussian Basis Sets.- Open Shell Relativistic Molecular Dirac-Hartree-Fock SCF-Program.- General Contraction in Four-Component Relativistic Hartree-Fock Calculations.- Accurate Relativistic Dirac-Fock and MBPT Calculations on Argon with Basis Sets of Contracted Gaussian Functions.- Comments.- Relativistic Many-Body Perturbation Theory of Atomic and Molecular Electronic Structure.- Solid State.- Relativistic Density-Functional Theory for Electrons in Solids.- Influence of Relativistic Effects on the Magnetic Moments and Hyperfine Fields of 5d-Impurity Atoms Dissolved in Ferromagnetic Fe.- Relativistic Spin-Polarized Density-Functional Theory: Simplified Method for Fully Relativistic Calculations.- Theory of Magnetocrystalline Anisotropy.- The Spin Polarized Photoemission from Non-Magnetic Metals.- Theory of Magnetic X-Ray Dichroism.- Participants. |
Contents
Relativistic Effects on Periodic Trends | 1 |
ATOMS | 11 |
Relativistic Atomic Structure and ElectronAtom | 17 |
Copyright | |
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Other editions - View all
The Effects of Relativity in Atoms, Molecules, and the Solid State Stephen Wilson,I.P. Grant,B.L. Gyorffy No preview available - 2012 |
The Effects of Relativity in Atoms, Molecules, and the Solid State Stephen Wilson,I P Grant,B L Gyorffy No preview available - 1991 |
Common terms and phrases
accuracy accurate angular application approach approximation atomic balanced basis functions basis set bond calculations changes charge Chem Chemistry complete computational configuration constructed containing contraction contributions core corrections correlation corresponding Coulomb coupling Data defined density dependence described determined diagrams Dirac direction discussed effects electron energy equation error et al evaluation example excited expansion experiment expression field Figure finite give given Grant Hamiltonian important included integrals interaction ions Ishikawa kinetic levels limit magnetic many-body perturbation matrix matrix elements MBPT method molecular molecules negative non-relativistic nuclear obtained operator orbital origin oscillator parameters performed perturbation theory Phys physical positive potential present problem quantum Quantum Mechanics Quiney radial reference relative relativistic relativistic effects represent representation respectively scattering single solutions spin-orbit strengths structure studies symmetry Table transition University variational wave Wilson