Add to ORKGIn this thesis we describe a method for relativistic quantum mechanical calculations on molecules. We obtain relativistic zero order wave functions by the use of the Dirac-Fock method and improve these by relativistic Configuration Interaction. This opens the way for an accurate ab initio treatment of both relativity and electron correlation in molecules or clusters that contain one or more heavy nuclei. ... Zie: Summar
The basic ideas of relativistic quantum chemistry are highlighted, with the most important ingredien...
A quantum mechanical equation H Psi = E Psi is composed of three components, viz., Hamiltonian H, wa...
In the Hartree-Fock approximation the correlation between the motions of different electrons is larg...
In this thesis we describe a method for relativistic quantum mechanical calculations on molecules. W...
In this thesis we describe a method for relativistic quantum mechanical calculations on molecules. W...
In this thesis we describe a method for relativistic quantum mechanical calculations on molecules. W...
In this thesis we describe a method for relativistic quantum mechanical calculations on molecules. W...
In this thesis we describe a method for relativistic quantum mechanical calculations on molecules. W...
This book presents a unified approach to modern relativistic theory of the electronic structure of a...
Computational Theoretical Chemnistry is a research area which, as far as electronic structure proble...
Computational Theoretical Chemnistry is a research area which, as far as electronic structure proble...
Computational Theoretical Chemnistry is a research area which, as far as electronic structure proble...
Computational Theoretical Chemnistry is a research area which, as far as electronic structure proble...
Computational Theoretical Chemnistry is a research area which, as far as electronic structure proble...
Our program concerns the theoretical investigations of the dynamic effects of relativity and electro...
The basic ideas of relativistic quantum chemistry are highlighted, with the most important ingredien...
A quantum mechanical equation H Psi = E Psi is composed of three components, viz., Hamiltonian H, wa...
In the Hartree-Fock approximation the correlation between the motions of different electrons is larg...
In this thesis we describe a method for relativistic quantum mechanical calculations on molecules. W...
In this thesis we describe a method for relativistic quantum mechanical calculations on molecules. W...
In this thesis we describe a method for relativistic quantum mechanical calculations on molecules. W...
In this thesis we describe a method for relativistic quantum mechanical calculations on molecules. W...
In this thesis we describe a method for relativistic quantum mechanical calculations on molecules. W...
This book presents a unified approach to modern relativistic theory of the electronic structure of a...
Computational Theoretical Chemnistry is a research area which, as far as electronic structure proble...
Computational Theoretical Chemnistry is a research area which, as far as electronic structure proble...
Computational Theoretical Chemnistry is a research area which, as far as electronic structure proble...
Computational Theoretical Chemnistry is a research area which, as far as electronic structure proble...
Computational Theoretical Chemnistry is a research area which, as far as electronic structure proble...
Our program concerns the theoretical investigations of the dynamic effects of relativity and electro...
The basic ideas of relativistic quantum chemistry are highlighted, with the most important ingredien...
A quantum mechanical equation H Psi = E Psi is composed of three components, viz., Hamiltonian H, wa...
In the Hartree-Fock approximation the correlation between the motions of different electrons is larg...