Just as Newtonian law governs classical physics, the Schrödinger equation (SE) and the relativistic Dirac equation (DE) rule the world of chemistry. So, if we can solve these equations accurately, we can use computation to predict chemistry precisely. However, for approximately 80 years after the discovery of these equations, chemists believed that they could not solve SE and DE for atoms and molecules that included many electrons. This Account reviews ideas developed over the past decade to further the goal of predictive quantum chemistry. Between 2000 and 2005, I discovered a general method of solving the SE and DE accurately. As a first inspiration, I formulated the structure of the exact wave function of the SE in a compact mathematical...
While instructing an undergraduate physical chemistry course on quantum mechanics, I encountered dif...
Dirac equations are of fundamental importance for relativistic quantum mechanics and quantum electro...
In this thesis we describe a method for relativistic quantum mechanical calculations on molecules. W...
The basic ideas of relativistic quantum chemistry are highlighted, with the most important ingredien...
At the scale of molecules, atoms and electrons all physical systems are described by quantum mechani...
Computational Theoretical Chemnistry is a research area which, as far as electronic structure proble...
Einstein proposed his theory of special relativity in 1905. For a long time it was believed that thi...
The classical laws ofmotion and Newtonian thought met considerable opposition in the late 1800s and ...
Credible reasons are presented to reveal that many of the lingering century old enigmas, surrounding...
A brief summary of the author’s research projects for deepening and extending the quantum principles...
Quantum chemistry describes the hydrogen atom as one of the few systems that permits an exact soluti...
Treball Final de Grau en Química. Codi: QU0943. Curs acadèmic: 2019/2020Quantum chemistry is a centr...
Molecules, small structures composed of atoms, are essential substances for lives. However, we didn'...
quantum mechanics was first developed. Quantum mechanics proved very successful in describing what i...
Quantum Mechanics is an incredibly difficult subject to understand, even to physicists. To obtain so...
While instructing an undergraduate physical chemistry course on quantum mechanics, I encountered dif...
Dirac equations are of fundamental importance for relativistic quantum mechanics and quantum electro...
In this thesis we describe a method for relativistic quantum mechanical calculations on molecules. W...
The basic ideas of relativistic quantum chemistry are highlighted, with the most important ingredien...
At the scale of molecules, atoms and electrons all physical systems are described by quantum mechani...
Computational Theoretical Chemnistry is a research area which, as far as electronic structure proble...
Einstein proposed his theory of special relativity in 1905. For a long time it was believed that thi...
The classical laws ofmotion and Newtonian thought met considerable opposition in the late 1800s and ...
Credible reasons are presented to reveal that many of the lingering century old enigmas, surrounding...
A brief summary of the author’s research projects for deepening and extending the quantum principles...
Quantum chemistry describes the hydrogen atom as one of the few systems that permits an exact soluti...
Treball Final de Grau en Química. Codi: QU0943. Curs acadèmic: 2019/2020Quantum chemistry is a centr...
Molecules, small structures composed of atoms, are essential substances for lives. However, we didn'...
quantum mechanics was first developed. Quantum mechanics proved very successful in describing what i...
Quantum Mechanics is an incredibly difficult subject to understand, even to physicists. To obtain so...
While instructing an undergraduate physical chemistry course on quantum mechanics, I encountered dif...
Dirac equations are of fundamental importance for relativistic quantum mechanics and quantum electro...
In this thesis we describe a method for relativistic quantum mechanical calculations on molecules. W...