𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The use of the equivalence between boxing and scaling to determine resonance energies

✍ Scribed by M. Garcia-Sucre; R. Lefebvre

Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
413 KB
Volume
130
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis

It is shown that the stabilization graphs obtained by enclosing a quantum system in a box of varying size can be exploited through analytical continuation to derive resonance energies. The similarity between this approach and that based on the variation of a scaling factor in the basis set used to represent the resonance wavefunction is emphasized.

πŸ“œ SIMILAR VOLUMES

Use of mean residence time to determine
Use of mean residence time to determine the magnitude of difference between rate constants and to calculate tmax in the Bateman equation
✍ Andrew Volosov; Meir Bialer πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 133 KB πŸ‘ 2 views

Purpose: The goal of this study was to develop a new method, based on robust pharmacokinetic (PK) parameters, for determining t max (time of peak plasma concentration) and the magnitude of difference between the absorption (k a ) and elimination (k) rate constants in the one compartment body model w

Determination of the lowest energy point
Determination of the lowest energy point on the crossing seam between two potential surfaces using the energy gradient
✍ Nobuaki Koga; Keiji Morokuma πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 281 KB

A method is presenkd 10 sarch for the energy minrmum crossing poim bewren IHCI po~mudl surracrs \\lxh the ad or Ihe energy gmdiem and rhe optimization method with n conslraint The melhod hns been apphed LO LU'O lou-lying wiplel excited shades or chlorobenzene with the nb iniuo UHF warcfunclion.