Computational Theoretical Chemnistry is a research area which, as far as electronic structure problems are concerned, encompasses essentially the development of theoretically sound, yet computionally feasable quantum mechanical models for atoms melecules and the solid state. ... Zie: Introductio
It is generally acknowledged that the inclusion of relativistic effects is crucial for the theoretic...
DIRAC: Program for Atomic and Molecular Direct Iterative Relativistic All-electron Calculations. Pr...
This article may be downloaded for personal use only. Any other use requires prior permission of the...
Computational Theoretical Chemnistry is a research area which, as far as electronic structure proble...
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...
Abstract In the present paper the theory for different relativistic methods is presented. Despite a ...
CRM Proceedings & Lecture Notes, vol 41This paper is a short review of computational issues arising ...
The basic ideas of relativistic quantum chemistry are highlighted, with the most important ingredien...
In this chapter we focus first on the theoretical methods and relevant computational approaches to c...
This chapter is a review of some methods used for the computation of relativistic atomic and molecul...
In this chapter we focus first on the theoretical methods and relevant computational approaches to c...
Just as Newtonian law governs classical physics, the Schrödinger equation (SE) and the relativistic ...
The past few years have witnessed a remarkable interest in the application of quantum computing for ...
Thesis (Ph.D.)--University of Washington, 2018In the context of electronic structure theory, formal ...
It is generally acknowledged that the inclusion of relativistic effects is crucial for the theoretic...
DIRAC: Program for Atomic and Molecular Direct Iterative Relativistic All-electron Calculations. Pr...
This article may be downloaded for personal use only. Any other use requires prior permission of the...
Computational Theoretical Chemnistry is a research area which, as far as electronic structure proble...
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...
Abstract In the present paper the theory for different relativistic methods is presented. Despite a ...
CRM Proceedings & Lecture Notes, vol 41This paper is a short review of computational issues arising ...
The basic ideas of relativistic quantum chemistry are highlighted, with the most important ingredien...
In this chapter we focus first on the theoretical methods and relevant computational approaches to c...
This chapter is a review of some methods used for the computation of relativistic atomic and molecul...
In this chapter we focus first on the theoretical methods and relevant computational approaches to c...
Just as Newtonian law governs classical physics, the Schrödinger equation (SE) and the relativistic ...
The past few years have witnessed a remarkable interest in the application of quantum computing for ...
Thesis (Ph.D.)--University of Washington, 2018In the context of electronic structure theory, formal ...
It is generally acknowledged that the inclusion of relativistic effects is crucial for the theoretic...
DIRAC: Program for Atomic and Molecular Direct Iterative Relativistic All-electron Calculations. Pr...
This article may be downloaded for personal use only. Any other use requires prior permission of the...
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