Calculations Regarding S.D. Woodruff's Property on Ontario Street

Calculations regarding S.D. Woodruff’s property on Ontario Street. 1 page of rough penciled calculations, n.d.

Calculations regarding quantities needed for cutting and ditching

Calculations regarding quantities needed for cutting and ditching (1 page, handwritten), March 19, 1884.

Page of scribbled notes and calculations, 1855

Page of scribbled notes and calculations, 1855.

Sketch of the bridge over Hurst’s Point and calculations about the bridge over the pond at Allenburgh

Sketch of the bridge over Hurst’s Point and calculations about the bridge over the pond at Allenburgh, n.d.

Calculations regarding the bridge crossing Chippawa

Calculations regarding the bridge crossing Chippawa (1 page, penciled calculations), n.d.

Calculations on a piece of “Long Point, Head Quarters” stationary with the “Long Point Company, Canada” seal

Calculations on a piece of “Long Point, Head Quarters” stationary with the “Long Point Company, Canada” seal. There are land calculations on this sheet, n.d.

Chart of calculations regarding quarrying, cutting, transportation and cement

Chart of calculations regarding quarrying, cutting, transportation and cement, n.d.

Note with calculations regarding payments for gas and other items

Note (1 page, handwritten) with calculations regarding payments for gas and other items.

Effect of modeling methods on the body and head-neck-trunck moments of inertia calculations in individuals of different morphology

Thèse numérisée par la Division de la gestion de documents et des archives de l'Université de Montréal

Systematic trends in self-consistent calculations of linear quantum wires

Systematic trends in the properties of a linear split-gate heterojunction are studied by solving iteratively the Poisson and Schrödinger equations for different gate potentials and temperatures. A two-dimensional approximation is presented that is much simpler in the numerical implementation and that accurately reproduces all significant trends. In deriving this approximation, we provide a rigorous and quantitative basis for the formulation of models that assumes a two-dimensional character for the electron gas at the junction.

Density-functional calculations of magnetoplasmons in quantum rings

We have studied the structure and dipole charge-density response of nanorings as a function of the magnetic field using local-spin-density-functional theory. Two small rings consisting of 12 and 22 electrons confined by a positively charged background are used to represent the cases of narrow and wide rings. The results are qualitatively compared with experimental data existing on microrings and on antidots. A smaller ring containing five electrons is also analyzed to allow for a closer comparison with a recent experiment on a two-electron quantum ring.

Helium in polygonal nanopores at zero temperature: Density functional theory calculations

We investigate adsorption of helium in nanoscopic polygonal pores at zero temperature using a finite-range density functional theory. The adsorption potential is computed by means of a technique denoted as the elementary source method. We analyze a rhombic pore with Cs walls, where we show the existence of multiple interfacial configurations at some linear densities, which correspond to metastable states. Shape transitions and hysterectic loops appear in patterns which are richer and more complex than in a cylindrical tube with the same transverse area.

Performance of correlation functionals in ab initio chemisorption cluster-model calculations: Alkali metals on Si(111)

The performance of different correlation functionals has been tested for alkali metals, Li to Cs, interacting with cluster models simulating different active sites of the Si(111) surface. In all cases, the ab initio Hartree-Fock density has been obtained and used as a starting point. The electronic correlation energy is then introduced as an a posteriori correction to the Hartree-Fock energy using different correlation functionals. By making use of the ionic nature of the interaction and of different dissociation limits we have been able to prove that all functionals tested introduce the right correlation energy, although to a different extent. Hence, correlation functionals appear as an effective and easy way to introduce electronic correlation in the ab initio Hartree-Fock description of the chemisorption bond in complex systems where conventional configuration interaction techniques cannot be used. However, the calculated energies may differ by some tens of eV. Therefore, these methods can be employed to get a qualitative idea of how important correlation effects are, but they have some limitations if accurate binding energies are to be obtained.