Search results for "Quantum Mechanic"
showing 10 items of 2483 documents
The electron gas with a strong pairing interaction: Three particle correlations and the Thouless instability
2000
We derive simplified Faddeev type equations for the three particle T-matrix which are valid in the Hubbard model where only electrons with opposite spins interact. Using the approximation of dynamical mean field theory these equations are partially solved numerically for the attractive Hubbard model. It is shown that the three particle T-matrix contains a term vanishing $\sim T^2$ at the Thouless (or BCS) instability where the two-particle T-matrix diverges. Based on the three particle term we further derive the low density - strong coupling extension for the two-particle vertex function. We therefore understand our equations as a step towards a systematic low density expansion from the wea…
Quantum simulation of the spin-boson model with a microwave circuit
2017
We consider superconducting circuits for the purpose of simulating the spin-boson model. The spin-boson model consists of a single two-level system coupled to bosonic modes. In most cases, the model is considered in a limit where the bosonic modes are sufficiently dense to form a continuous spectral bath. A very well known case is the ohmic bath, where the density of states grows linearly with the frequency. In the limit of weak coupling or large temperature, this problem can be solved numerically. If the coupling is strong, the bosonic modes can become sufficiently excited to make a classical simulation impossible. Here, we discuss how a quantum simulation of this problem can be performed …
Quantum effects in the capture of charged particles by dipolar polarizable symmetric top molecules. II. Interplay between electrostatic and gyroscopi…
2013
ally nonadiabatic channel treatment of the capture of charged particles by dipolar polarizable symmetric top molecules with the aim to reveal quantum effects in the collision dynamics. In general, these effects are related to the discrete nature of the intrinsic, orbital, and total angular momenta, to the quantum character of passage of collision partners across effective potential barriers and drops, and to the interplay of two types of anisotropic interactions, the gyroscopic (Coriolis) and the electrostatic ones. The latter feature, in principle, leads to a coupling of capture channels. In the calculation of capture cross sections or rate coefficients, however, this coupling can be ignor…
Computational investigation and experimental considerations for the classical implementation of a full adder on SO2 by optical pump-probe schemes
2008
International audience; Following the scheme recently proposed by Remacle and Levine Phys. Rev. A 73, 033820 2006 , we investigate the concrete implementation of a classical full adder on two electronic states X˜ 1A1 and C ˜ 1B2 of the SO2 molecule by optical pump-probe laser pulses using intuitive and counterintuitive stimulated Raman adiabatic passage excitation schemes. The resources needed for providing the inputs and reading out are discussed, as well as the conditions for achieving robustness in both the intuitive and counterintuitive pump-dump sequences. The fidelity of the scheme is analyzed with respect to experimental noise and two kinds of perturbations: The coupling to the neigh…
First-principles calculation of electron spin-rotation tensors.
2010
Using Curl's Hamiltonian (Curl, R. F. Mol. Phys. 1965, 9, 585) first-principles calculations at the Hartree-Fock and various coupled-cluster (CC) levels based on a perturbative scheme are reported. The effects of basis-set dependence and electron correlation have been investigated by performing benchmark calculations for a set of radicals comprising 12 species and 14 electronic states. In comparison to experimental results, the electron spin-rotation tensor is obtained with a 10-15% accuracy when using the CC singles and doubles approximation and a triple-zeta quality basis set. Some improvements are seen when triple excitations are considered via the CC singles, doubles, and triples model.
Energy and Personality: A Bridge between Physics and Psychology
2021
[EN] The objective of this paper is to present a mathematical formalism that states a bridge between physics and psychology, concretely between analytical dynamics and personality theory, in order to open new insights in this theory. In this formalism, energy plays a central role. First, the short-term personality dynamics can be measured by the General Factor of Personality (GFP) response to an arbitrary stimulus. This GFP dynamical response is modeled by a stimulus¿response model: an integro-differential equation. The bridge between physics and psychology appears when the stimulus¿response model can be formulated as a linear second order differential equation and, subsequently, reformulat…
Analysis of a slow–fast system near a cusp singularity
2016
This paper studies a slow fast system whose principal characteristic is that the slow manifold is given by the critical set of the cusp catastrophe. Our analysis consists of two main parts: first, we recall a formal normal form suitable for systems as the one studied here; afterwards, taking advantage of this normal form, we investigate the transition near the cusp singularity by means of the blow up technique. Our contribution relies heavily in the usage of normal form theory, allowing us to refine previous results. (C) 2015 Elsevier Inc. All rights reserved.
Response properties with explicitly correlated coupled-cluster methods using a Slater-type correlation factor and cusp conditions
2009
The recently proposed extension of the explicitly correlated coupled-cluster ansatz using cusp conditions [A. Kohn, J. Chem. Phys. 130, 104104 (2009)] is tested for suitability in the calculation of response properties. For this purpose, static and dynamic electrical properties up to ESHG hyperpolarizabilities as well as optical rotations have been computed within the CCSD(F12) model. It is shown that effectively converged correlation contributions can reliably be obtained using augmented quadruple zeta basis sets already. The ansatz is optionally equipped with an extension capable of reducing the one-electron basis set error. A further simplification of the method specific Lagrangian aimed…
Explicitly correlated internally contracted multireference coupled-cluster singles and doubles theory: ic-MRCCSD(F12∗)
2013
Abstract An explicitly correlated ansatz employing Slater-type geminals and cusp conditions is developed for the internally contracted multireference coupled-cluster singles and doubles method. Only the most important geminal terms are retained in the spirit of earlier work for single-reference theory. Throughout all our test calculations, the new ic-MRCCSD(F12∗) method improves the basis set convergence of many properties, e.g., spectroscopic constants or singlet–triplet splittings, with only little extra computational cost. If a perturbative correction for connected triples is included (the ic-MRCCSD(F12∗)+(T) method), very accurate results can be obtained even with minimal active spaces.
The electronic spectra of 2-(2′-hydroxybenzoyl)pyrrole and 2-(2′-methoxybenzoyl)pyrrole: a theoretical study
2005
The gas-phase electronic spectra of 2-(2 0 -hydroxybenzoyl)pyrrole and 2-(2 0 -methoxybenzoyl)pyrrole have been determined using multiconfigurational perturbation theory (CASPT2). Solvatochromic spectral shifts for these molecules have been measured in cyclohexane and methanol and the electrostatic components of these shifts have been estimated using the vertical electrostatic model (VEM 4.2) developed for the configuration interaction with single excitations model implemented with the intermediate neglect of differential overlap Hamiltonian (CIS/INDO/ S2). Comparison between theory and experiment and an interpretation of the main spectral differences between the two substituted pyrroles an…