Alteration of gas phase ion polarizabilities upon hydration in high dielectric liquids
Documents
Electric dipole polarizabilities of doubly ionized alkaline-earth-metal ions from perturbed relativistic coupled-cluster theory
Computational aspects of polymer band structure calculations by the Fourier space restricted Hartree–Fock method
Relativistic Hartree Approach Including Both Positive- and Negative-Energy Bound States
Traces of functions in Fock spaces on lattices of critical density
Towards black-box linear scaling optimization in Hartree-Fock and Kohn-Sham theories
Generalized polarizabilities and electroexcitation of the nucleon
QM/MM-Based Fitting of Atomic Polarizabilities for Use in Condensed-Phase Biomolecular Simulation
Relativistic Hartree-Bogoliubov theory for finite nuclei
Multiconfiguration Dirac-Hartree-Fock calculations of transition rates and lifetimes of the eight lowest excited levels of radium
Solution of the Skyrme–Hartree–Fock equations in the Cartesian deformed harmonic-oscillator basis. (III) HFODD (v1.75r): a new version of the program
Electric field dependence of magnetic properties: Multiconfigurational self-consistent field calculations of hypermagnetizabilities and nuclear shielding polarizabilities of N2, C2H2,
From uncoupled to coupled Hartree–Fock polarizabilities of infinite polymeric chains. Pariser–Parr–Pople applications to the polyacetylene chains
Heat transport through model molecular junctions: A multilayer multiconfiguration time-dependent Hartree approach
Multiconfigurational time-dependent Hartree calculations for tunneling splittings of vibrational states: Theoretical considerations and application to malonaldehyde
Complete-active-space multiconfiguration Dirac-Hartree-Fock calculations of hyperfine-structure constants of the gold atom
Symmetry conserving Hartree-Fock-Bogoliubov theory
Relativistic Hartree-Bogoliubov theory in coordinate space: Finite element solution for a nuclear system with spherical symmetry
