Zobrazeno 1 - 10 of 19 pro vyhledávání: '"H.P. Gervais"'
1
Perturbations into high-order WKB schemes for solving one-dimensional quantum-mechanical models
Autor: Gaston Berthier, H.P. Gervais
Publikováno v: Journal of Molecular Structure: THEOCHEM. 330:49-55
The WKB approximation in its standard form or in its supersymmetric form (SWKB) has been modified in such a way that effects of an external perturbation v can be taken into account. Perturbation corrections are explicitly written down up to the secon
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ce930473105769002d7df5a8041ba613
https://doi.org/10.1016/0166-1280(94)03817-5
Zobrazit plný text záznamu
2
Polarization functions for the calculations of polarizability and hyperpolarizability. Application to the helium atom and the hydrogen molecule
Autor: J.P. Flament, N. El Bakali Kassimi, M. Tadjeddine, G. Berthier, H.P. Gervais
Publikováno v: Journal of Molecular Structure: THEOCHEM. 254:177-189
In order to calculate polarizability and hyperpolarizability, field induced polarization functions are proposed. They are constructed from the first- and second-order perturbed hydrogenic functions, in which the hydrogenic scale factor ζ is determin
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b2b493b01730f002543acf35b10a4ba4
https://doi.org/10.1016/0166-1280(92)80063-r
Zobrazit plný text záznamu
3
Vibrational modelling in large polycyclic aromatic hydrocarbons
Autor: G. Berthier, Philippe Youkharibache, N. Rougeau, H.P. Gervais, J.P. Flament
Publikováno v: Journal of Molecular Structure: THEOCHEM. 254:405-428
The scaled quantum mechanical force field (SQM) of a series of polycyclic aromatic hydrocarbons (PAH) of astrophysical interest was calculated at the MNDO level. The set of scale factors for each type of coordinate involved were determined for the sm
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::60a35aeba283da3af65569b4fbff2f5b
https://doi.org/10.1016/0166-1280(92)80085-z
Zobrazit plný text záznamu
6
Stability of the internal space of molecules
Autor: Philippe Youkharibache, H.P. Gervais
Publikováno v: Chemical Physics Letters. 87:165-170
Proof is given of the stability of the internal space with respect to isotopic substitution. For the construction of this space, one introduces particular molecular model, which is of considerable utility for understandmg the concepts of potential en
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::fa468ab5d45482b3a50674b2ba7406cc
https://doi.org/10.1016/0009-2614(82)83580-x
Zobrazit plný text záznamu
7
Activite optique de la methyl-3 cyclopentenanone; un calcul ab initio
Autor: H.P. Gervais, J.P. Flament
Publikováno v: Tetrahedron. 36:1949-1952
Ab initio calculations for two conformers of 3-methyl cyclopentanone, with and without 3d orbitals, show that inclusion of d orbitals on the carbonyl group lower energies and is thus necessary, as follows from the variation principle; it also markedl
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b043d9499de6d36e945a3eb118be0877
https://doi.org/10.1016/0040-4020(80)80207-9
Zobrazit plný text záznamu
8
Gauge-dependent ket calculation of the magnetic properties of molecules
Autor: Michel Rérat, H.P. Gervais, J.P. Flament
Publikováno v: Journal of Molecular Structure: THEOCHEM. 151:39-60
A gauge-invariant ket function theory of magnetic properties is presented. The perturbed state, which depends explicitly on the strength of the external fields, is determined variationally as a linear combination of Slater's determinants associated w
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::af30f4f0c58b6b5a4b544415c7f86a85
https://doi.org/10.1016/0166-1280(87)85043-1
Zobrazit plný text záznamu
10
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.

Vyhledávací nástroje:

Upřesnit hledání

Omezení vyhledávání
Plný text Recenzováno Digitální knihovna AV ČR
Zdroje