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Reduced Hamiltonians. II: The size-consistency of reduced Hamiltonians defined in model spaces

✍ Scribed by Pascual Viciano; Josep Planelles


Publisher
Springer
Year
1994
Tongue
English
Weight
620 KB
Volume
16
Category
Article
ISSN
0259-9791

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πŸ“œ SIMILAR VOLUMES


Relevant space within the spin-adapted r
✍ C. Valdemoro; M. P. De Lara-Castells; R. Bochicchio; E. PΓ©rez-Romero πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 180 KB πŸ‘ 2 views

The properties of the spin-adapted reduced Hamiltonian SRH matrices and of their eigenvectors permit in many cases a projection of the two-electron matrices, which amounts to an effective truncation of the basis at the stage of the calculations which are time and as memory consuming. Besides this ef

Relevant space within the spin-adapted r
✍ C. Valdemoro; M. P. De Lara-Castells; R. Bochicchio; E. PΓ©rez-Romero πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 175 KB πŸ‘ 2 views

The algorithm for evaluating the elements of the spin-adapted reduced ## Ε½ . Hamiltonian 2-SRH involves the whole basis set of molecular orbitals. However, under a specific condition, its eigenvectors are very sparse. These two properties lead us here to propose a projection of the 2-SRH matrix,

ON THE USE OF CONSISTENT AND SIGNIFICANT
✍ W. D'Ambrogio; A. Fregolent πŸ“‚ Article πŸ“… 1998 πŸ› Elsevier Science 🌐 English βš– 297 KB

A dynamic model updating technique, force residual updating-interactive technique (FRU-IT), is described. The technique is based on minimisation of the force (input) residual. Like most parametric identification problems, dynamic model updating is affected strongly by measurement errors due to the i