Tulane University

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

Generalized gradient approximations (GGA’s) seek to improve upon the accuracy of the local-spin-density (LSD) approximation in electronic-structure calculations. Perdew and Wang...

Self-interaction correction to density-functional approximations for many-electron systems

The exact density functional for the ground-state energy is strictly self-interaction-free (i.e., orbitals demonstrably do not self-interact), but many approximations to it, inc...

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

Langreth and Mehl (LM) and co-workers have developed a useful spin-density functional for the correlation energy of an electronic system. Here the LM functional is improved in t...

The surface science of titanium dioxide

Global burden of hypertension: analysis of worldwide data

The proximal origin of SARS-CoV-2

SARS-CoV-2 is the seventh coronavirus known to infect humans; SARSCoV, MERS-CoV and SARS-CoV-2 can cause severe disease, whereas HKU1, NL63, OC43 and 229E are associated with mi...

The global epidemiology of hypertension

Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the <i>v</i> -representability problem

Universal variational functionals of densities, first-order density matrices, and natural spin-orbitals are explicitly displayed for variational calculations of ground states of...

Meta-analysis of experiments with matched groups or repeated measures designs.

Tests for experiments with matched groups or repeated measures designs use error terms that involve the correlation between the measures as well as the variance of the data. The...

Ownership structure and voting on antitakeover amendments