We review the progress in atomic structure theory with a focus on superheavy elements and
their predicted ground state configurations important for an element's placement in the …

A quantum mechanical equation H Ψ= E Ψ is composed of three components, viz.,
Hamiltonian H, wave function Ψ, and property E (λ), each of which is confronted with …

Relativistic effects are of major importance for understanding the properties of heavier atoms
and molecules. Volumes I-III of Relativistic Theory of Atoms and Molecules constitute the …

A hierarchy of approximations in relativistic many-electron theory is discussed that starts with
the Dirac equation and its expansion in a kinetically balanced basis, via a formulation of non …

Any quantum mechanical calculation on electronic structure ought to choose first an
appropriate Hamiltonian H and then an Ansatz for parameterizing the wave function Ψ, from …

The current field of relativistic quantum chemistry (RQC) has been built upon the no-pair and
no-retardation approximations. While retardation effects must be treated in a time-dependent …

Given the remarkable advances in relativistic quantum chemistry, some conceptual aspects
still remain to be addressed. Among others, the role of negative energy states (NES) in …

The atomic configuration interaction (CI) is reconsidered. We compare the algebraic and
geometric approaches to the construction of the CI matrix and point out advantages of the …

Selected configuration interaction (SCI) for atomic and molecular electronic structure
calculations is reformulated in a general framework encompassing all CI methods. The …

The application of the CPT (charge-conjugation, parity, and time reversal) theorem to an
apple falling on Earth leads to the description of an anti-apple falling on anti–Earth (not on …