Relativistic (SR‐ZORA) quantum theory of atoms in molecules properties

Existence of Atoms and Molecules in Non-Relativistic Quantum Electrodynamics

We show that the Hamiltonian describing N nonrelativistic electrons with spin, interacting with the quantized radiation field and several fixed nuclei with total charge Z has a ground state when N < Z + 1. The result holds for any value of the fine structure constant α and for any value of the ultraviolet cutoff Λ on the radiation field. There is no infrared cutoff. The basic mathematical ingre...

An Introduction to the Quantum Theory of Atoms in Molecules

The observation that some properties attributed to atoms and functional groups are transferable from one molecule to another has played a key role in the development of chemistry. This observation provides a basis for group additivity schemes and is exemplified by the constancy of group contributions to thermodynamic and spectroscopic properties. But what is the electronic basis of this empiric...

Quantum Mechanics of Atoms & Molecules

These are a set of notes I have made, based on lectures given by Y.Xian at the University of Manchester Jan-June ’08. Please e-mail me with any comments/corrections: [email protected].

The RTAM electronic bibliography, version 17.0, on relativistic theory of atoms and molecules

The RTAM bibliography is freely available at rtam.csc.fi and the Version 17.0 of August 22, 2013 now contains 16,566 items from the year 1916-2013. "Production works" were systematically covered until 1999. Since the year 2000, mainly methodological papers were included. The methods and principles behind RTAM are described.

Relativistic Quantum Field Theory