## Abstract We report calculations of the ground state energy and binding curve of the chromium dimer using the variational and diffusion quantum Monte Carlo (VMC and DMC) methods. We examined various singleβdeterminant and multideterminant wavefunctions multiplied by a Jastrow factor as a trial/gu
Quantum Monte Carlo and quantum chemical study of the ground state of the high-Tc copper oxides
β Scribed by Yoshihiro Asai
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 290 KB
- Volume
- 165-166
- Category
- Article
- ISSN
- 0921-4526
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β¦ Synopsis
T~e result of quan.tum chemical generalized valence bond calculation on the hlgh-Tc copper oXides has been used to built up a model Hamiltonian relevant ~or th~oxides. Some features of the ground state of the Hamiltonian is InvestIgated here in some limiting case by using the determinantal quantum monte carlo method.
π SIMILAR VOLUMES
## A set of parameters for the three-band Hubbard model is determlned by comparison of Quantum Monte C~lo results with experimental values for the charge transfer gap. With the obtained parameter set we have calculated the spectral function A(k,t~) for the one-particle Green's function. We find ve