Second-quantization representation for molecular systems with nonorthogonal basis set of one-particle functions

Distributed basis sets of s-type Gaussia

Distributed basis sets of s-type Gaussian functions for molecular electronic structure calculations: Applications of the Gaussian cell model to one-electron polycentric linear molecular systems

✍ S. Wilson 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 799 KB

## I A particular formulation of the distributed Gaussian basis-set approach, the extended Gaussian cell model, is applied to the simplest polycentric molecule, the linear H:+ ion. Calculations of the total energy using two extensions of the original Gaussian cell model are described and results a