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 - United States
doi 10.1063/1.480398
Full Text
Abstract

Available in full text

Date
Authors
Publisher

AIP Publishing

Related search

Elements of the Ab Initio No Core Shell Model

AIP Conference Proceedings
AstronomyPhysics
2008English

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

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
1999English

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

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2005English

Improved Embedding Ab Initio Model Potentials for Embedded Cluster Calculations†

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2009English

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

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
1995English

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 ChemistryPhysical
2012English

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

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2000English

Generalized Relativistic Effective Core Potentials for Actinides

International Journal of Quantum Chemistry
Condensed Matter PhysicsMolecular Physics,Theoretical ChemistryAtomicOpticsPhysical
2015English

Ab Initiosymplectic No-Core Shell Model

Journal of Physics G: Nuclear and Particle Physics
High Energy PhysicsNuclear
2008English

Amanote Research

Note-taking for researchers

Follow Amanote

© 2024 Amaplex Software S.P.R.L. All rights reserved.

Privacy PolicyRefund Policy