Search results for "Coupling"

Perturbative treatment of spin-orbit-coupling within spin-free exact two-component theory using equation-of-motion coupled-cluster methods.

2018

A scheme is reported for the perturbative calculation of spin-orbit coupling (SOC) within the spin-free exact two-component theory in its one-electron variant (SFX2C-1e) in combination with the equation-of-motion coupled-cluster singles and doubles method. Benchmark calculations of the spin-orbit splittings in 2Π and 2P radicals show that the accurate inclusion of scalar-relativistic effects using the SFX2C-1e scheme extends the applicability of the perturbative treatment of SOC to molecules that contain heavy elements. The contributions from relaxation of the coupled-cluster amplitudes are shown to be relatively small; significant contributions from correlating the inner-core orbitals are …

Octupole states in Tl207 studied through β decay

2020

The β decay of 207Hg into the single-proton-hole nucleus 207Tl has been studied through γ-ray spectroscopy at the ISOLDE Decay Station (IDS) with the aim of identifying states resulting from coupling of the πs−11/2, πd−13/2, and πh−111/2 shell model orbitals to the collective octupole vibration. Twenty-two states were observed lying between 2.6 and 4.0 MeV, eleven of which were observed for the first time, and 78 new transitions were placed. Two octupole states (s1/2-coupled) are identified and three more states (d3/2-coupled) are tentatively assigned using spin-parity inferences, while further h11/2-coupled states may also have been observed for the first time. Comparisons are made with st…

Improved Algorithms for the Modeling of Vibrational Polyads of Polyatomic Molecules: Application toT,O, andC3Molecules

1997

Abstract Improved algorithms for the construction of rovibrational operators of polyatomic molecules are presented. Vibrationally diagonal and off-diagonal terms are obtained by a specific coupling scheme of creation and annihilation elementary operators. Recursive procedures are used to generate all possible terms and associated basis functions as well as to calculate matrix elements and commutators. Explicit formulations are given forTd,Oh, andC3vmolecules.

Second sound near lambda transition in presence of quantum vortices

2018

In this paper, temperature waves (also known as second sound) are consid- ered, with their respective coupling with waves in the order parameter describing the transition from normal phase to superfluid phase, and with waves in the vortex length density. We analyze the coupling between these three kinds of waves and explore its relevance in situations not far from the lambda transition. In particular, the expres- sions for the second sound speed and second sound attenuation are explicitly obtained within some approximations, showing the influence of the order parameter and the vortex length density, which is decisive close to the transition.

SU(3)-breaking corrections to the hyperon vector coupling f1(0) in covariant baryon chiral perturbation theory

2010

Chaotization of internal motion of excitons in ultrathin layers by spin–orbit coupling

2018

We show that Rashba spin-orbit coupling (SOC) can generate chaotic behavior of excitons in two-dimensional semiconductor structures. To model this chaos, we study a Kepler system with spin-orbit coupling and numerically obtain a transition to chaos at a sufficiently strong coupling. The chaos emerges since the SOC reduces the number of integrals of motion as compared to the number of degrees of freedom. Dynamically, the dependence of the exciton energy on the spin orientation in the presence of SOC produces an anomalous spin-dependent velocity resulting in chaotic motion. We observe numerically the critical dependence of the dynamics on the initial conditions, where the system can return to…

Surface Hopping Dynamics Including Intersystem Crossing using the Algebraic Diagrammatic Construction Method

2017

We report an implementation for employing the algebraic diagrammatic construction to second order [ADC(2)] ab initio electronic structure level of theory in nonadiabatic dynamics simulations in the framework of the SHARC (surface hopping including arbitrary couplings) dynamics method. The implementation is intended to enable computationally efficient, reliable, and easy-to-use nonadiabatic dynamics simulations of intersystem crossing in organic molecules. The methodology is evaluated for the 2-thiouracil molecule. It is shown that ADC(2) yields reliable excited-state energies, wave functions, and spin-orbit coupling terms for this molecule. Dynamics simulations are compared to previously re…

Numerical simulation of free dissipative open quantum system and establishment of a formula for π

2020

We transform the system/reservoir coupling model into a one-dimensional semi-infinite discrete chain with nearest neighbor interaction through a unitary transformation, and, simulate the dynamics of free dissipative open quantum system. We investigate the consequences of such modeling, which is observed as finite size effect causing the recurrence of particle from the end of the chain. Afterwards, we determine a formula for π in terms of the matrix operational form, which indicates a robustness of the connection between quantum physics and basic mathematics. peerReviewed

Landau-Zener-Stueckelberg effect in a model of interacting tunneling systems

2003

The Landau-Zener-Stueckelberg (LZS) effect in a model system of interacting tunneling particles is studied numerically and analytically. Each of N tunneling particles interacts with each of the others with the same coupling J. This problem maps onto that of the LZS effect for a large spin S=N/2. The mean-field limit N=>\infty corresponds to the classical limit S=>\infty for the effective spin. It is shown that the ferromagnetic coupling J>0 tends to suppress the LZS transitions. For N=>\infty there is a critical value of J above which the staying probability P does not go to zero in the slow sweep limit, unlike the standard LZS effect. In the same limit for J>0 LZS transition…

Control of the coupling strength and linewidth of a cavity magnon-polariton

2020

The full coherent control of hybridized systems such as strongly coupled cavity photon-magnon states is a crucial step to enable future information processing technologies. Thus, it is particularly interesting to engineer deliberate control mechanisms such as the full control of the coupling strength as a measure for coherent information exchange. In this work, we employ cavity resonator spectroscopy to demonstrate the complete control of the coupling strength of hybridized cavity photon-magnon states. For this, we use two driving microwave inputs which can be tuned at will. Here, only the first input couples directly to the cavity resonator photons, whilst the second tone exclusively acts …