𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Monte Carlo study of the energy dispersion curve of a mobile hole in a quantum antiferromagnet

✍ Scribed by Massimo Boninsegni


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
547 KB
Volume
188
Category
Article
ISSN
0375-9601

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


A quantum Monte Carlo study of energy di
✍ XΓ©nophon Krokidis; Nigel W. Moriarty; William A. Lester Jr.; Michael Frenklach πŸ“‚ Article πŸ“… 2001 πŸ› John Wiley and Sons 🌐 English βš– 525 KB

## Abstract Quantum Monte Carlo and a series of other ab initio as well as density functional theory calculations were performed for the enthalpy of formation of C~4~H~3~ and C~4~H~5~ radicals. The computed Ξ”~f~H~298~^0^ values, in kcal/mol, are 126.0 for __n__‐C~4~H~3~, 119.4 for __i__‐C~4~H~3~, 8

A sparse algorithm for the evaluation of
✍ AlΓ‘n Aspuru-Guzik; Romelia SalomΓ³n-Ferrer; Brian Austin; William A. Lester Jr. πŸ“‚ Article πŸ“… 2005 πŸ› John Wiley and Sons 🌐 English βš– 164 KB πŸ‘ 2 views

## Abstract A new algorithm is presented for the sparse representation and evaluation of Slater determinants in the quantum Monte Carlo (QMC) method. The approach, combined with the use of localized orbitals in a Slater‐type orbital basis set, significantly extends the size molecule that can be tre

A Monte Carlo study of electrostatic sol
✍ B.J. Costa Cabral; D. Rinaldi; J.L. Rivail πŸ“‚ Article πŸ“… 1982 πŸ› Elsevier Science 🌐 English βš– 371 KB

Computer slmulstmns of soluuons m a &polar hard-sphcrc solvent of lhrce molcculcs hwmg the same gcomctmzd propcrlics but whose clcctrosblrc cbractertsttcs arc rcspccllvcly a pure dlpolc. a pure quadrupolc, and a $ct of four porn1 charges wlncl~ WCS rise to a tnulltpobr cxpsnsion, hvc been pcrformcd.