Simple view
Full metadata view
Authors
Statistics
The hydrogen molecules
dc.abstract.en | The hydrogen molecules $H_{2}$ and $(H_{2})_{2}$ are analyzed with electronic correlations taken into account between the 1s electrons in an exact manner. The optimal single-particle Slater orbitals are evaluated in the correlated state of $H_{2}$ by combining their variational determination with the diagonalization of the full Hamiltonian in the second-quantization language. All electron–ion coupling constants are determined explicitly and their relative importance is discussed. Sizable zero-point motion amplitude and the corresponding energy are then evaluated by taking into account the anharmonic contributions up to the ninth order in the relative displacement of the ions from their static equilibrium value. The applicability of the model to solid molecular hydrogen is briefly analyzed by calculating intermolecular microscopic parameters for the $2 \times H_{2}$ rectangular configuration, as well its ground state energy. | pl |
dc.affiliation | Wydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki im. Mariana Smoluchowskiego | pl |
dc.contributor.author | Kądzielawa, Andrzej - 114977 | pl |
dc.contributor.author | Bielas, Agata | pl |
dc.contributor.author | Acquarone, Marcello | pl |
dc.contributor.author | Biborski, Andrzej | pl |
dc.contributor.author | Maśka, Maciej M. | pl |
dc.contributor.author | Spałek, Józef - 132018 | pl |
dc.date.accessioned | 2015-04-27T10:16:11Z | |
dc.date.available | 2015-04-27T10:16:11Z | |
dc.date.issued | 2014 | pl |
dc.date.openaccess | 0 | |
dc.description.accesstime | w momencie opublikowania | |
dc.description.number | 12 | pl |
dc.description.publication | 1,5 | pl |
dc.description.version | ostateczna wersja wydawcy | |
dc.description.volume | 16 | pl |
dc.identifier.articleid | 123022 | pl |
dc.identifier.doi | 10.1088/1367-2630/16/12/123022 | pl |
dc.identifier.eissn | 1367-2630 | pl |
dc.identifier.project | ROD UJ / P | pl |
dc.identifier.uri | http://ruj.uj.edu.pl/xmlui/handle/item/5820 | |
dc.language | eng | pl |
dc.language.container | eng | pl |
dc.rights | Udzielam licencji. Uznanie autorstwa 3.0 Polska | * |
dc.rights.licence | CC-BY | |
dc.rights.uri | http://creativecommons.org/licenses/by/3.0/legalcode | * |
dc.share.type | otwarte czasopismo | |
dc.subtype | Article | pl |
dc.title | $H_{2}$ and $(H_{2})_{2}$ molecules with an ab initio optimization of wave functions in correlated state : electron-proton couplings and intermolecular microscopic parameters | pl |
dc.title.journal | New Journal of Physics | pl |
dc.type | JournalArticle | pl |
dspace.entity.type | Publication |
* The migration of download and view statistics prior to the date of April 8, 2024 is in progress.
Views
0
Views per month
Downloads
Open Access