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Publications by Frank Rakowitz

Spin-Free Relativistic No-Pair Ab Initio Core Model Potentials and Valence Basis Sets for the Transition Metal Elements Sc to Hg. II

Journal of Chemical Physics

Theoretical Chemistry

English

Related publications

Elements of the Ab Initio No Core Shell Model

AIP Conference Proceedings

English

The Ab Initio Model Potential Method: Third-Series Transition Metal Elements

Journal of Chemical Physics

Theoretical Chemistry

English

Systematically Convergent Basis Sets for Transition Metals. I. All-Electron Correlation Consistent Basis Sets for the 3d Elements Sc–Zn

Journal of Chemical Physics

Theoretical Chemistry

English

Improved Embedding Ab Initio Model Potentials for Embedded Cluster Calculations†

Journal of Physical Chemistry A

Theoretical Chemistry

English

Gaussian Basis Sets for Use in Correlated Molecular Calculations. V. Core‐valence Basis Sets for Boron Through Neon

Journal of Chemical Physics

Theoretical Chemistry

English

Relativistic Segmented Contraction Basis Sets With Core-Valence Correlation Effects for Atoms 57La Through 71Lu: Sapporo-Dk-nZP Sets (N = D, T, Q)

Theoretical Chemistry Accounts

Theoretical Chemistry

English

An Ab Initio Two-Component Relativistic Method Including Spin–orbit Coupling Using the Regular Approximation

Journal of Chemical Physics

Theoretical Chemistry

English

Generalized Relativistic Effective Core Potentials for Actinides

International Journal of Quantum Chemistry

Condensed Matter Physics

Molecular Physics,

Theoretical Chemistry

English

Ab Initiosymplectic No-Core Shell Model

Journal of Physics G: Nuclear and Particle Physics

High Energy Physics

English