Searcharxiv⌕ Search

arXiv subjects

K. Kowalski

Publications and source records attributed to K. Kowalski.

At least 19 recordsLinked to original sources
arXiv2020

Simple three-stage frequency-stabilized diode laser system using injection-locking and tapered amplifier

We developed a simple three-stage amplifying tunable cw diode laser system that comprises: a Littrow configuration master laser, frequency stabilized with a dichroic atomic vapor laser lock (DAVLL), an acousto-optic frequency shifter (AOM), an injection-locked slave laser and a tapered amplifier (TA). Slave amplifies the frequency-shifted beam and suppresses (within 0.5%) the strong dependence of its intensity on the AOM carrier frequency, thus acting as an efficient optical limiter. The beam is further amplified in TA. System operates at 780 nm, with an output power above 700 mW, a time-averaged linewidth of 0.6 MHz, and a frequency drift below 2 MHz/h. The mode-hop-free tuning range of the master amounts 2 GHz, DAVLL allows a lock point tunability in the range of 400 MHz. The fine (with some tens of kHz precision) tuning range spans 70 MHz, determined by the AOM model applied. A detailed description of the system was given and its performance was tested. The basic components were designed and manufactured in our lab.

physics.optics↗
arXiv2020

Towards quantum computing for high-energy excited states in molecular systems: quantum phase estimations of core-level states

This paper explores the utility of the quantum phase estimation (QPE) in calculating high-energy excited states characterized by promotions of electrons occupying inner energy shells. These states have been intensively studied over the last few decades especially in supporting the experimental effort at light sources. Results obtained with the QPE are compared with various high-accuracy many-body techniques developed to describe core-level states. The feasibility of the quantum phase estimator in identifying classes of challenging shake-up states characterized by the presence of higher-order excitation effects is also discussed.

quant-ph↗
arXiv2020

Real-time coupled-cluster approach for the cumulant Green's function

Green's function methods within many-body perturbation theory provide a general framework for treating electronic correlations in excited states. Here we investigate the cumulant form of the one-electron Green's function based on the coupled-cluster equation of motion approach in an extension of our previous study. The approach yields a non-perturbative expression for the cumulant in terms of the solution to a set of coupled first order, non-linear differential equations. The method thereby adds non-linear corrections to traditional cumulant methods linear in the self energy. The approach is applied to the core-hole Green's function and illustrated for a number of small molecular systems. For these systems we find that the non-linear contributions lead to significant improvements both for quasiparticle properties such as core-level binding energies, as well as the satellites corresponding to inelastic losses observed in photoemission spectra.

physics.chem-ph↗
arXiv2020

NWChem: Past, Present, and Future

Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic properties. In this regard, electronic structure packages have played a special role by using first-principledriven methodologies to model complex chemical and materials processes. Over the last few decades, the rapid development of computing technologies and the tremendous increase in computational power have offered a unique chance to study complex transformations using sophisticated and predictive many-body techniques that describe correlated behavior of electrons in molecular and condensed phase systems at different levels of theory. In enabling these simulations, novel parallel algorithms have been able to take advantage of computational resources to address the polynomial scaling of electronic structure methods. In this paper, we briefly review the NWChem computational chemistry suite, including its history, design principles, parallel tools, current capabilities, outreach and outlook.

physics.chem-ph↗
arXiv2019

On the coherent states for a relativistic scalar particle

The three approaches to relativistic generalization of coherent states are discussed in the simplest case of a spinless particle: the standard, canonical coherent states, the Lorentzian states and the coherent states introduced by Kaiser and independently by Twareque Ali, Antoine and Gazeau. All treatments utilize the Newton-Wigner localization and dynamics described by the Salpeter equation. The behavior of expectation values of relativistic observables in the coherent states is analyzed in detail and the Heisenberg uncertainty relations are investigated.

quant-ph↗
arXiv2017

Energy transfer reaction K(4s) + K(7s) \rightarrow K(4s) + K(5f), theory compared with experiment

A comparison between theory and experiment, concerning the K(4s)+K(7s)\rightarrow K(4s)+K(5f) reaction of energy transfer in thermal collisions, is presented. Relevant cross sections are calculated for the potassium vapour temperatures in the range of 310-1000 K. They are based on the theoretical adiabatic K_2 potential energy curves and on the use of the multicrossing Landau-Zener model. In the temperature range of the present experiment, 428-451 K, the computed cross sections vary little, from 2.09x10^-14 cm^2 to 2.04x10^-14 cm^2, and agree well with the value 1.8(8)x10^-14 cm^2, which is the average of the corresponding experimental results.

physics.atom-ph↗
arXiv2013

Quantum beats of the rigid rotor

The dynamics is investigated of a free particle on a sphere (rigid rotor or rotator) that is initially in a coherent state. The instability of coherent states with respect to the free evolution leads to nontrivial time-development of averages of observables representing the position of a particle on a sphere that can be interpreted as quantum beats.

quant-ph↗
arXiv2013

Quantum dynamics of the harmonic oscillator on a cylinder

Evolution of coherent states is considered for a particle confined to a cylinder moving in a harmonic oscillator potential. Because of the discontinuous changes as time goes by of the phase representing the position of a particle on a parallel (circle) the trajectory pattern of quantum averages specifying coordinates on a cylinder is very complex and in some aspects resembles chaotic one.

quant-ph↗
arXiv2013

On the dynamics of a particle on a cone

A detailed study of the classical and quantum mechanics of a free particle on a double cone and the particle bounded to its tip by the harmonic oscillator potential is presented.

quant-ph↗
arXiv2011

Pseudospherical functions on a hyperboloid of one sheet

The pseudospherical functions on one-sheet, two-dimensional hyperboloid are discussed. The simplest method of construction of these functions is introduced using the Fock space structure of the representation space of the su(1,1) algebra. The pseudospherical functions with half-integer order are investigated. The counterparts of the Legendre functions for the hyperboloid are introduced and a new class of pseudospherical functions is found.

math-ph↗
arXiv2007

Lorentz covariant statistical mechanics and thermodynamics of the relativistic ideal gas and preferred frame

The Lorentz covariant classical and quantum statistical mechanics and thermodynamics of an ideal relativistic gas of bradyons (particles slower than light), luxons (particles moving with the speed of light) and tachyons (hypothetical particles faster than light) is discussed. The Lorentz covariant formulation is based on the preferred frame approach which among others enables consistent, free of paradoxes description of tachyons. The thermodynamic functions within the covariant approach are obtained both in classical and quantum case.

hep-th↗
arXiv2007

Relativistic ideal Fermi gas at zero temperature and preferred frame

We discuss the limit T->0 of the relativistic ideal Fermi gas of luxons (particles moving with the speed of light) and tachyons (hypothetical particles faster than light) based on observations of our recent paper: K. Kowalski, J. Rembielinski and K.A. Smolinski, Phys. Rev. D, 76, 045018 (2007). For bradyons this limit is in fact the nonrelativistic one and therefore it is not studied herein.

hep-th↗
arXiv2005

Ab initio coupled-cluster study of 16-O

We report converged results for the ground and excited states and matter density of 16-O using realistic two-body nucleon-nucleon interactions and coupled-cluster methods and formalism developed in quantum chemistry. Most of the binding is obtained with the coupled-cluster singles and doubles approach. Additional binding due to three-body clusters (triples) is minimal. The coupled-cluster method with singles and doubles provides a good description of the matter density, charge radius, charge form factor, and excited states of a 1-particle-1-hole nature, but it cannot describe the first excited 0+ state. Incorporation of triples has no effect on the latter finding.

nucl-th↗