TDHF evaluation of the dipole-quadrupole polarizability and its geometrical derivatives

INIS

• hartree-fock method 100%
• polarizability 100%
• evaluation 100%
• dipoles 100%
• quadrupoles 100%
• time dependence 100%
• cartesian coordinates 100%
• electric fields 66%
• molecules 33%
• dynamics 33%
• equations 33%
• chemistry 33%
• linear combination of atomic orbitals 33%
• frequency dependence 33%
• electric dipoles 33%
• adamantane 33%

Keyphrases

• Dipole 100%
• Cartesian Coordinates 100%
• Time-dependent Hartree-Fock 100%
• Quadrupole Polarizability 100%
• Hartree Equation 33%
• Lower Order 33%
• Linear Combination of Atomic Orbitals 33%
• Frequency Dependence 33%
• Quantum Chemistry 33%
• Small Molecules 33%
• Second-order Derivative 33%
• Electric Dipole 33%
• Electric Quadrupole 33%
• GAMESS 33%
• Ordering Time 33%
• First Order Derivative 33%
• Analytical Procedures 33%
• External Dynamics 33%
• Electric Field Gradient 33%
• Adamantane 33%
• Dynamic Electric Field 33%
• Order Derivatives 33%

Chemistry

• Quadrupole 100%
• Polarizability 100%
• Electric Field 50%
• Quantum Chemistry 50%
• Electric Field Gradient 50%
• LCAO Calculation 50%
• Adamantane 50%