Atomization Energy Calculations in 13-Atom Alkali Metal Clusters Is There an Appropriate Exchange-Correlation Functional?

von Angelotti, Wagner F D
Veröffentlicht in: Journal of computational chemistry (2025)

Accurate relativistic adapted Gaussian basis sets for Cesium through Radon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models

von Haiduke, Roberto L A
Veröffentlicht in: Journal of computational chemistry (2006)

An accurate relativistic universal Gaussian basis set for hydrogen through Nobelium without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models

von Haiduke, Roberto L A
Veröffentlicht in: Journal of computational chemistry (2005)

A polynomial version of the generator coordinate Dirac-Fock method

von Haiduke, Roberto L A
Veröffentlicht in: Journal of computational chemistry (2004)