The molecular hydrogens (H 2, D 2, HD, etc.) form the simplest of all molecular solids. The
combination of the light mass, small moment of inertia, weak interactions, and the quasi …

The variational method complemented with the use of explicitly correlated Gaussian basis
functions is one of the most powerful approaches currently used for calculating the …

The ground‐state energies of H2, LiH, Li2, and H2O are calculated by a fixed‐node
quantum Monte Carlo method, which is presented in detail. For each molecule, relatively …

This perspective article discusses some broadly-known and some less broadly-known
consequences of Einstein's special relativity in quantum chemistry, and provides a brief …

Lowe's new edition assumes little mathematical or physical sophistication and emphasizes
an understanding of the techniques and results of quantum chemistry. It can serve as a …

An expression for the" correlation energy" of a multiconfiguration wave function is developed
using perturbation theory. The asymptotic form of this expression for an N-configuration pair …

The second edition of an established graduate text, this book complements the material for a
typical advanced graduate course in quantum mechanics by showing how the underlying …

Theoreticians and experimentalists should work together more closely to establish reliable
rankings and benchmarks for quantum chemical methods. Comparison to carefully designed …

In this review we examine the presently available theoretical techniques for determining
metal surface reaction energetics. The unity bond index-quadratic exponential potential (UBI …

The recently developed high-accuracy extrapolated ab initio thermochemistry method for
theoretical thermochemistry, which is intimately related to other high-precision protocols …