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Orbit coupling

The perturbations in this case are between a singlet and a triplet state. The perturbation Hamiltonian, H, of the second-order perturbation theory is spin-orbital coupling, which has the effect of mixing singlet and triplet states. [Pg.1142]

Figure 1. Adiabatic potential surfaces (a) for the linear E x e case and (b) for a state with linear Jahn-Teller coupling and spin-orbit coupling to a state,... Figure 1. Adiabatic potential surfaces (a) for the linear E x e case and (b) for a state with linear Jahn-Teller coupling and spin-orbit coupling to a state,...
RENNER-TELLER EFFECT AND SPIN-ORBIT COUPLING IN TRIATOMIC AND TETRAATOMIC MOLECULES... [Pg.475]

Combined Vibronic and Spin-Orbit Coupling in Linear Molecules... [Pg.475]

Appendix A Perturbative Handling of the Renner—Teller Effect and Spin-Orbit Coupling in n Electronic States of Tetraatomic Molecules... [Pg.476]

The vibronic structure of a electronic state at variable strengths of the vibronic and spin-orbit coupling is presented in Figure 5. The splitting of the... [Pg.496]

Figure 5, Low-eriergy vibronic spectrum in a electronic state of a linear triatomic molecule. The parameter c determines the magnitude of splitting of adiabatic bending potential curves, is the spin-orbit coupling constant, which is assumed to be positive. The zero on the... Figure 5, Low-eriergy vibronic spectrum in a electronic state of a linear triatomic molecule. The parameter c determines the magnitude of splitting of adiabatic bending potential curves, is the spin-orbit coupling constant, which is assumed to be positive. The zero on the...

See other pages where Orbit coupling is mentioned: [Pg.62]    [Pg.369]    [Pg.1133]    [Pg.1135]    [Pg.1137]    [Pg.1143]    [Pg.1143]    [Pg.1553]    [Pg.1554]    [Pg.2156]    [Pg.2419]    [Pg.2933]    [Pg.4]    [Pg.10]    [Pg.18]    [Pg.20]    [Pg.20]    [Pg.32]    [Pg.393]    [Pg.464]    [Pg.466]    [Pg.490]    [Pg.492]    [Pg.494]    [Pg.495]    [Pg.495]    [Pg.496]    [Pg.497]   
See also in sourсe #XX -- [ Pg.299 , Pg.308 , Pg.312 ]




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A, spin-orbit coupling constant

Actinides spin-orbit coupling constants

Angular momentum coupling spin-orbit

Anisotropic Spin-Orbit Coupling

Atomic spin-orbit coupling

Biradical spin-orbit coupling

Brueckner Orbitals in Coupled Cluster Theory

Carbonium ions spin-coupled orbitals for

Carbonyl compounds spin-orbit coupling

Coupled-perturbed Hartree-Fock orbital theory

Coupling 3/, orbital effects

Effect of spin-orbit coupling

Effective core potentials coupled-cluster spin-orbit effects

Efficient spin-orbit coupling

Efficient spin-orbit coupling calculation

Eigenstates spin-orbit coupling

Electron paramagnetic resonance spin-orbit coupling

Electronic coupling frontier molecular orbital interactions

Electronic structure spin-orbit coupling

Evaluation of the nuclear derivative coupling matrix elements with canonical molecular orbitals

Exchange coupling orbital

Factors. Spin-Orbit Coupling

First-Order Spin-Orbit Coupling

First-Order Spin-Orbit Coupling Selection Rules

Formaldehyde spin-orbit coupling

Geometric phase theory spin-orbit coupling

Hamiltonian operator for spin-orbit coupling

Hamiltonian spin-orbit coupling

Heavy atoms spin-orbit coupling

Hydrogen-like atom spin-orbit coupling

Intermediate coupling spin-orbit configuration interaction

Intersystem crossing spin orbit coupling mechanism

Ionization potentials, spin-orbit coupling

Ionization potentials, spin-orbit coupling effects

Jahn-Teller effect spin-orbit coupling

Lanthanide ions spin-orbit coupling

Lanthanide spin-orbit coupling

Magnetic coupling orbital

Magnetism spin-orbit coupling

Matrix spin-orbit coupling

Molecular orbitals coupled-cluster theory

Multiplets Spin-orbit coupling

Natural orbitals coupled-cluster theory

Neglect of spin-orbit coupling

Nuclear spin-orbit coupling

Nucleons spin-orbit coupling

Operators Spin-orbit coupling

Optimized-orbital coupled-cluster

Optimized-orbital coupled-cluster effect

Orbital angular momentum spin-orbit coupling

Orbital-optimized coupled-cluster model

Orbitals and NMR couplings

Osmium complexes spin-orbit coupling

Perturbation theory applied to spin-orbit coupling

Perturbational Approaches to Spin-Orbit Coupling

Properties depending on spin-orbit coupling

Quantum spin-orbit couplings

Relativistic corrections spin -orbit coupling

Resonance condition spin-orbit coupling

Ruthenium spin-orbit coupling

Semiconductors spin-orbit coupling

Singlet-Triplet Mixing Under Spin-Orbit Coupling

Spin coupled orbitals

Spin eigenvalues orbit coupling

Spin orbit coupling theory level

Spin orbital coupling transitions

Spin-Orbit Coupling - The Free Ion Case

Spin-Orbit Coupling Distortions

Spin-Orbit Coupling Term

Spin-Orbit Coupling and Conical Intersections

Spin-Orbit Coupling and Intersystem Crossing

Spin-Orbit Coupling and Intersystem Crossing in Biradicals

Spin-Orbit Coupling and Relativistic Effective Potentials—Applications

Spin-Orbit Coupling in Molecules

Spin-Orbit Coupling in the H Atom

Spin-orbit coupling

Spin-orbit coupling Hamiltonian equation

Spin-orbit coupling Renner-Teller effect

Spin-orbit coupling and double groups

Spin-orbit coupling atomic vector contributions

Spin-orbit coupling atoms

Spin-orbit coupling bond length

Spin-orbit coupling bonding

Spin-orbit coupling calculations

Spin-orbit coupling carbenes

Spin-orbit coupling coefficient/constant

Spin-orbit coupling conduction electrons

Spin-orbit coupling conical intersections

Spin-orbit coupling constant interaction

Spin-orbit coupling constant, value

Spin-orbit coupling constants

Spin-orbit coupling convergence equations

Spin-orbit coupling coordinates

Spin-orbit coupling coordination geometry

Spin-orbit coupling corrections

Spin-orbit coupling curves

Spin-orbit coupling definition

Spin-orbit coupling delocalization

Spin-orbit coupling derivative couplings

Spin-orbit coupling diatomics

Spin-orbit coupling direct

Spin-orbit coupling effective Hamiltonians

Spin-orbit coupling effects

Spin-orbit coupling electron delocalization

Spin-orbit coupling electronic Hamiltonian

Spin-orbit coupling energy parameters

Spin-orbit coupling geometry

Spin-orbit coupling ground-state reactivity

Spin-orbit coupling handling

Spin-orbit coupling in pictures

Spin-orbit coupling indirect

Spin-orbit coupling integrals

Spin-orbit coupling lanthanoids

Spin-orbit coupling location

Spin-orbit coupling minimal models

Spin-orbit coupling mode mixing

Spin-orbit coupling multi-state effects

Spin-orbit coupling nature

Spin-orbit coupling nonlinear molecules

Spin-orbit coupling numerical calculations

Spin-orbit coupling orthogonality properties

Spin-orbit coupling parameter

Spin-orbit coupling parameter under pressure

Spin-orbit coupling permutational symmetry

Spin-orbit coupling perturbation theory

Spin-orbit coupling perturbative handling

Spin-orbit coupling pseudopotential

Spin-orbit coupling screened nuclear

Spin-orbit coupling shielding

Spin-orbit coupling singlet-triplet mixing

Spin-orbit coupling spectroscopic properties

Spin-orbit coupling splitting

Spin-orbit coupling strength

Spin-orbit coupling surface

Spin-orbit coupling tetraatomic molecules

Spin-orbit coupling theoretical principles

Spin-orbit coupling through-bond

Spin-orbit coupling through-space

Spin-orbit coupling time-reversal symmetry

Spin-orbit coupling transformational invariant

Spin-orbit coupling transition metal electronic structure

Spin-orbit coupling transitions

Spin-orbit coupling triatomic molecules

Spin-orbit coupling value

Spin-orbit coupling vector

Spin-orbit coupling vibronic problem

Spin-orbit coupling, actinides

Spin-orbit coupling, vibronic relaxation

Spin-orbit interaction coupling

Spin-orbit interaction derivative couplings

Spin-orbital coupling

Spin-orbital coupling in molecules

Spin-orbital coupling response theory calculation

Symmetry in spin-orbit coupling

Tanabe-Sugano diagram with spin-orbit coupling

Tetragonal field, spin-orbit coupling

The Dirac Equation Without Spin-Orbit Coupling

The Nature of Spin-Orbit Coupling

Time reversal with spin-orbit coupling

Transition metal complexes spin-orbit coupling

Triatomic molecules vibronic/spin-orbit coupling

Two-component all-electron methods for spin-orbit coupling

Two-step treatment of electron correlation and spin-orbit coupling

Valence spin-orbit coupling

Vibronic/spin-orbit coupling

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