Object structure Metadata Files list Creator: Bachorz Rafał A. Contributor: Komasa Jacek Tags: exponentially correlated Gaussians (ECG), Gaussian geminals, variational optimization, 24H + ion Abstract: The method of exponentially correlated Gaussian (ECG) wave functions is extended to the case of multicenter molecular systems with nuclei arranged in a 3-dimensional space. A particular case of a four-center two-electron system, H 2+ 4 , is studied by means of the variational approach. The energies reported in this work are the most accurate available to date. Place of publishing: Poznań Publisher: OWN Date submitted: 2005.03.23 Resource Type: artykuł Format: application/pdf Language: eng