Search results for "Hamiltonian"
showing 10 items of 662 documents
Quantum dynamics by the constrained adiabatic trajectory method
2011
We develop the constrained adiabatic trajectory method (CATM) which allows one to solve the time-dependent Schr\"odinger equation constraining the dynamics to a single Floquet eigenstate, as if it were adiabatic. This constrained Floquet state (CFS) is determined from the Hamiltonian modified by an artificial time-dependent absorbing potential whose forms are derived according to the initial conditions. The main advantage of this technique for practical implementation is that the CFS is easy to determine even for large systems since its corresponding eigenvalue is well isolated from the others through its imaginary part. The properties and limitations of the CATM are explored through simple…
Theoretical prediction of the electronic properties of silicon fullerenes
1994
Summary form only given. High symmetry silicon clusters present currently intense interest because of the possibility they present properties similar to those displayed by fullerenes. Thermodynamic studies have shown that the buckminsterfullerene structure of Si6o is much more stable than other suggested structures. We present here a detailed investigation of the structure and electronic properties of silicon cluster analogous to fullerenes. We have made use of AMI method to obtain reliable geometrical parameters. The calculated valence effective Hamiltonian (VEH) electronic structures are used to predict ionization potentials, electron affinities, HOMO-LUMO energy gaps and first allowed tr…
Some notes on a superlinear second order Hamiltonian system
2016
Variational methods are used in order to establish the existence and the multiplicity of nontrivial periodic solutions of a second order dynamical system. The main results are obtained when the potential satisfies different superquadratic conditions at infinity. The particular case of equations with a concave-convex nonlinear term is covered.
Calculation of excited-state properties using general coupled-cluster and configuration-interaction models.
2004
Using string-based algorithms excitation energies and analytic first derivatives for excited states have been implemented for general coupled-cluster (CC) models within CC linear-response (LR) theory which is equivalent to the equation-of-motion (EOM) CC approach for these quantities. Transition moments between the ground and excited states are also considered in the framework of linear-response theory. The presented procedures are applicable to both single-reference-type and multireference-type CC wave functions independently of the excitation manifold constituting the cluster operator and the space in which the effective Hamiltonian is diagonalized. The performance of different LR-CC/EOM-…
Non-hermitian operator modelling of basic cancer cell dynamics
2018
We propose a dynamical system of tumor cells proliferation based on operatorial methods. The approach we propose is quantum-like: we use ladder and number operators to describe healthy and tumor cells birth and death, and the evolution is ruled by a non-hermitian Hamiltonian which includes, in a non reversible way, the basic biological mechanisms we consider for the system. We show that this approach is rather efficient in describing some processes of the cells. We further add some medical treatment, described by adding a suitable term in the Hamiltonian, which controls and limits the growth of tumor cells, and we propose an optimal approach to stop, and reverse, this growth.
Non-equivariant cylindrical contact homology
2013
It was pointed out by Eliashberg in his ICM 2006 plenary talk that the integrable systems of rational Gromov-Witten theory very naturally appear in the rich algebraic formalism of symplectic field theory (SFT). Carefully generalizing the definition of gravitational descendants from Gromov-Witten theory to SFT, one can assign to every contact manifold a Hamiltonian system with symmetries on SFT homology and the question of its integrability arises. While we have shown how the well-known string, dilaton and divisor equations translate from Gromov-Witten theory to SFT, the next step is to show how genus-zero topological recursion translates to SFT. Compatible with the example of SFT of closed …
Approximate energy functionals for one-body reduced density matrix functional theory from many-body perturbation theory
2018
We develop a systematic approach to construct energy functionals of the one-particle reduced density matrix (1RDM) for equilibrium systems at finite temperature. The starting point of our formulation is the grand potential $\Omega [\mathbf{G}]$ regarded as variational functional of the Green's function $G$ based on diagrammatic many-body perturbation theory and for which we consider either the Klein or Luttinger-Ward form. By restricting the input Green's function to be one-to-one related to a set on one-particle reduced density matrices (1RDM) this functional becomes a functional of the 1RDM. To establish the one-to-one mapping we use that, at any finite temperature and for a given 1RDM $\…
On Grinberg’s Criterion
2019
We generalize Grinberg’s hamiltonicity criterion for planar graphs. To this end, we first prove a technical theorem for embedded graphs. As a special case of a corollary of this theorem we obtain Zaks’ extension of Grinberg’s Criterion (which encompasses earlier work of Gehner and Shimamoto), but the result also implies Grinberg’s formula in its original form in a much broader context. Further implications are a short proof for a slightly strengthened criterion of Lewis bounding the length of a shortest closed walk from below as well as a generalization of a theorem due to Bondy and Häggkvist. See full version of the article: https://www.sciencedirect.com/science/article/pii/S01956698183013…
Deperturbation treatment of theAΣ+1–bΠ3complex of NaRb and prospects for ultracold molecule formation inXΣ+1(v=0;J=0)
2007
High resolution Fourier transform spectra (FTS) of laser induced fluorescence (LIF) of $C\phantom{\rule{0.2em}{0ex}}^{1}\ensuremath{\Sigma}^{+};D\phantom{\rule{0.2em}{0ex}}^{1}\ensuremath{\Pi}\ensuremath{\rightarrow}A\phantom{\rule{0.2em}{0ex}}^{1}\ensuremath{\Sigma}^{+}--b\phantom{\rule{0.2em}{0ex}}^{3}\ensuremath{\Pi}$ and $A\phantom{\rule{0.2em}{0ex}}^{1}\ensuremath{\Sigma}^{+}--b\phantom{\rule{0.2em}{0ex}}^{3}\ensuremath{\Pi}\ensuremath{\rightarrow}X\phantom{\rule{0.2em}{0ex}}^{1}\ensuremath{\Sigma}^{+}$ transitions in ${\mathrm{Na}}^{85}\mathrm{Rb}$ and ${\mathrm{Na}}^{87}\mathrm{Rb}$ were obtained. An analysis of the direct LIF spectra together with the rotational relaxation satellite…
On critical behaviour in systems of Hamiltonian partial differential equations
2013
Abstract We study the critical behaviour of solutions to weakly dispersive Hamiltonian systems considered as perturbations of elliptic and hyperbolic systems of hydrodynamic type with two components. We argue that near the critical point of gradient catastrophe of the dispersionless system, the solutions to a suitable initial value problem for the perturbed equations are approximately described by particular solutions to the Painlevé-I (P $$_I$$ I ) equation or its fourth-order analogue P $$_I^2$$ I 2 . As concrete examples, we discuss nonlinear Schrödinger equations in the semiclassical limit. A numerical study of these cases provides strong evidence in support of the conjecture.