Search results for "Wave function"
showing 10 items of 395 documents
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-…
A very short uranium-uranium bond: The predicted metastable U22+
2005
Quantum chemical calculations, based on multiconfigurational wave functions and including relativistic effects, show that the U(2)2+ system has a large number of low-lying electronic states with S of 0 to 2 and Lambda ranging from zero to ten. These states share a very small bond length of about 2.30 A, compared to 2.43 A in neutral U2. The Coulomb explosion to 2 U+ lowers the energy by only 1.6 eV and is separated by a broad barrier.
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…
A consistent microscopic theory of collective motion in the framework of an ATDHF approach
1978
Based on merely two assumptions, namely the existence of a collective Hamiltonian and that the collective motion evolves along Slater determinants, we first derive a set of adiabatic time-dependent Hartree-Fock equations (ATDHF) which determine the collective path, the mass and the potential, second give a unique procedure for quantizing the resulting classical collective Hamiltonian, and third explain how to use the collective wavefunctions, which are eigenstates of the quantized Hamiltonian.
Matter dependence of the four-loop QCD cusp anomalous dimension: from small angles to all angles
2019
We compute the fermionic contributions to the cusp anomalous dimension in QCD at four loops as an expansion for small cusp angle. As a byproduct we also obtain the respective terms of the four-loop HQET wave function anomalous dimension. Our new results at small angles provide stringent tests of a recent conjecture for the exact angle dependence of the matter terms in the four-loop cusp anomalous dimension. We find that the conjecture does not hold for two of the seven fermionic color structures, but passes all tests for the remaining terms. This provides strong support for the validity of the corresponding conjectured expressions with full angle dependence. Taking the limit of large Minkow…
U(N) tools for loop quantum gravity: the return of the spinor
2011
We explore the classical setting for the U(N) framework for SU(2) intertwiners for loop quantum gravity (LQG) and describe the corresponding phase space in terms of spinors with appropriate constraints. We show how its quantization leads back to the standard Hilbert space of intertwiner states defined as holomorphic functionals. We then explain how to glue these intertwiners states in order to construct spin network states as wave-functions on the spinor phase space. In particular, we translate the usual loop gravity holonomy observables to our classical framework. Finally, we propose how to derive our phase space structure from an action principle which induces non-trivial dynamics for the…
Evolution of mixed particles interacting with classical sources
2006
We study the systems of scalar and spinor particles with mixing emitted by external classical sources. The particles wave functions exactly accounting for external sources are obtained directly from the Lorentz invariant wave equations in (3+1)-dimensional space-time. Then we discuss sources which are localized in space and emit harmonic radiation. We obtain that the considered scalar and spinor fields can be converted from one type to another due to the presence of the vacuum mixing. This phenomenon is shown to be analogous to neutrino flavor oscillations in vacuum since the calculated transition and survival probabilities coincide with the corresponding expressions for neutrino oscillatio…
QCD effective charge from the three-gluon vertex of the background-field method
2013
In this article we study in detail the prospects of determining the infrared finite QCD effective charge from a special kinematic limit of the vertex function corresponding to three background gluons. This particular Green's function satisfies a QED-like Ward identity, relating it to the gluon propagator, with no reference to the ghost sector. Consequently, its longitudinal form factors may be expressed entirely in terms of the corresponding gluon wave function, whose inverse is proportional to the effective charge. After reviewing certain important theoretical properties, we consider a typical lattice quantity involving this vertex, and derive its exact dependence on the various form facto…
Sensitivity of one-neutron knockout of halo nuclei to their nuclear structure
2019
Halo nuclei are located far from stability and exhibit a very peculiar structure. Due to their very short lifetime, they are often studied through reactions. Breakup reactions are of particular interest since their cross sections are large for these loosely-bound nuclei. Inclusive measurements of breakup--also called knockout reactions--have even higher statistics. In this proceeding, we study which nuclear-structure information can be inferred from the parallel-momentum distribution of the core of one-neutron halo nuclei after the knockout of its halo neutron. In particular, we analyse the influence of the ground-state wavefunction, the presence of excited states within the halo-nucleus sp…
Quantum entanglement of identical particles by standard information-theoretic notions
2016
Quantum entanglement of identical particles is essential in quantum information theory. Yet, its correct determination remains an open issue hindering the general understanding and exploitation of many-particle systems. Operator-based methods have been developed that attempt to overcome the issue. We introduce a state-based method which, as second quantization, does not label identical particles and presents conceptual and technical advances compared to the previous ones. It establishes the quantitative role played by arbitrary wave function overlaps, local measurements and particle nature (bosons or fermions) in assessing entanglement by notions commonly used in quantum information theory …