37,878 research outputs found
The Role of Fermions in Bubble Nucleation
We present a study of the role of fermions in the decay of metastable states
of a scalar field via bubble nucleation. We analyze both one and
three-dimensional systems by using a gradient expansion for the calculation of
the fermionic determinant. The results of the one-dimensional case are compared
to the exact results of previous work.Comment: 15 pages, revtex, 9 figure
Ground-states of spin-1 bosons in asymmetric double-wells
In this work we investigate the different states of a system of spin-1 bosons
in two potential wells connected by tunneling, with spin-dependent interaction.
The model utilizes the well-known Bose-Hubbard Hamiltonian, adding a local
interaction term that depends on the modulus of the total spin in a well,
favoring a high- or low-spin state for different signs of the coupling
constant. We employ the concept of fidelity to detect critical values of
parameters for which the ground state undergoes significant changes. The nature
of the states is investigated through evaluation of average occupation numbers
in the wells and of spin correlations. A more detailed analysis is done for a
two-particle system, but a discussion of the three-particle case and some
results for larger numbers are also presented.Comment: 7 pages, 10 figure
Understanding thio-effects in simple phosphoryl systems : role of solvent effects and nucleophile charge.
Recent experimental work (J. Org. Chem., 2012, 77, 5829) demonstrated pronounced differences in measured thio-effects for the hydrolysis of (thio)phosphodichloridates by water and hydroxide nucleophiles. In the present work, we have performed detailed quantum chemical calculations of these reactions, with the aim of rationalizing the molecular bases for this discrimination. The calculations highlight the interplay between nucleophile charge and transition state solvation in SN2(P) mechanisms as the basis of these differences, rather than a change in mechanism
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