3 resultados para cut-to-length harvesting

em Brock University, Canada


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Oak chest measuring 36 cm in height 45 cm in width and 32 cm in depth. The cabinet contains 5 graduating drawers and it closes with 2 hinged doors, each bearing an arch. There are recessed brass handles on the 2 sides of the cabinet and one of these handles on each of the drawers. On the top of the cabinet there is an escutcheon engraved with “S.D. Woodruff Esq., St. Catharines, 157 Ontario”. The cabinet has a lock which is still functional and opens with a skeleton key which is part of this collection. The top 2 drawers have been lined with a piece of cardboard carefully cut to size and covered with brocade. There is some scratching on the top of the cabinet and one of the front doors is missing some of the wooden trim.

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This work investigates mathematical details and computational aspects of Metropolis-Hastings reptation quantum Monte Carlo and its variants, in addition to the Bounce method and its variants. The issues that concern us include the sensitivity of these algorithms' target densities to the position of the trial electron density along the reptile, time-reversal symmetry of the propagators, and the length of the reptile. We calculate the ground-state energy and one-electron properties of LiH at its equilibrium geometry for all these algorithms. The importance sampling is performed with a single-determinant large Slater-type orbitals (STO) basis set. The computer codes were written to exploit the efficiencies engineered into modern, high-performance computing software. Using the Bounce method in the calculation of non-energy-related properties, those represented by operators that do not commute with the Hamiltonian, is a novel work. We found that the unmodified Bounce gives good ground state energy and very good one-electron properties. We attribute this to its favourable time-reversal symmetry in its target density's Green's functions. Breaking this symmetry gives poorer results. Use of a short reptile in the Bounce method does not alter the quality of the results. This suggests that in future applications one can use a shorter reptile to cut down the computational time dramatically.

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Chart of station 2, crop sections of the old back ditch on the south side of the feeder, station 45, station 118 and the total length from the culvert to lot no. 5. This is signed by Fred Holmes, April 13, 1857.