Density Functional Theory is a rapidly developing branch of many-particle physics that has
found applications in atomic, molecular, solid-state and nuclear physics. This book …

The two basictheories of modernphysics are the theory of relativity and quantum mechanics.
While the importance of the latter in chemistry was instantly recognized, it was not until the …

Ever since its invention in 1929 the Dirac equation has played a fundamental role in various
areas of modern physics and mathematics. Its applications are so widespread that a …

A large and ever-growing number of quantum chemists are attempting to calculate the
properties of systems containing transition-metal atoms. AS is usually the case with a …

B Supplementary mathematics Page 1 B Supplementary mathematics B.1 Linear operators on
Hilbert space General references [1], [2], [3], [4] B.1.1 Hilbert spaces This appendix summarizes …

Electron Density and Bonding in Crystals: Principles, Theory and X-Ray Diffraction
Experiments in Solid State Physics and Chemistry provides a comprehensive, unified …

While the velocity of light c is finite in the real world, most calculations of theoretical
chemistry make the approximation c-=. This is usually a satisfactory approximation for …

The objective of this series of papers is to survey important techniques for the evaluation of
matrix elements (MEs) of unitary group generators and their products in the electronic …

The importanceof relativistic effects on chemical and spectroscopic properties of molecules
containing very heavy atoms is considered. Recent developments that combinelarge scale …

A systematic study of finite dimensional matrix approximations to products of quantum
mechanical operators is made. It is shown that the matrix representation of the product of two …