Search results for "Ground state"
showing 10 items of 928 documents
Size-consistent single-reference methods for electronic correlation: a unified formulation through intermediate hamiltonian theory
1996
Using the intermediate hamiltonian theory as a unique conceptual frame and the technique of CI matrix dressing, a wide series of single-reference methods for the treatment of the ground state correlation are reviewed, compared, and sometimes improved. These methods range from independent excitation approximation (the very next step beyond MP2) to coupled cluster, going through the so-called electron pair approximations and the (SC)2CI formalism. A hierarchy of these methods can be established according to two criteria: These formulations in terms of diagonalizations of dressed CI matrices avoid convergence problems, but their main advantage is their flexibility, since they apply to multi-re…
The VN2 negatively charged defect in diamond. A quantum mechanical investigation of the EPR response
2020
Abstract The VN 2 − defect in diamond consists of a vacancy surrounded by two substitutional nitrogen atoms, which lower the local symmetry from Td to C2v. Calculations of the doublet ground state geometry, electronic structure, EPR parameters, and IR spectra of this defect are reported along with a preliminary investigation of the observed optical transition. For the most part our results were obtained using a uniform charge compensated supercell approach together with the B3LYP functional and all-electron Gaussian basis sets designed for the properties studied. In particular, the computed hyperfine and quadrupolar EPR parameters for the carbon and nitrogen atoms adjacent to the vacancy ag…
Critical behavior of short range Potts glasses
1993
We study by means of Monte Carlo simulations and the numerical transfer matrix technique the critical behavior of the short rangep=3 state Potts glass model in dimensionsd=2,3,4 with both Gaussian and bimodal (±J) nearest neighbor interactions on hypercubic lattices employing finite size scaling ideas. Ind=2 in addition the degeneracy of the glass ground state is computed as a function of the number of Potts states forp=3, 4, 5 and compared to that of the antiferromagnetic ground state. Our data indicate a transition into a glass phase atT=0 ind=2 with an algebraic singularity, aT=0 transition ind=3 with an essential singularity of the form χ∼exp(const.T−2), and an algebraic singularity atT…
Crossing the dripline to11Nusing elastic resonance scattering
2000
The level structure of the unbound nucleus N-11 has been studied by C-10+p elastic resonance scattering in inverse geometry with the LISE3 spectrometer at GANIL, using a C-10 beam with an energy of 9.0 MeV/ nucleon. An additional measurement was done at the A1200 spectrometer at MSU. The excitation function above the C-10+p threshold has been determined up to 5 MeV. A potential-model analysis revealed three resonance states at energies 1.27(-0.05)(+0.18) MeV (Gamma = 1.44 +/- 0.2 MeV), 2.01(-0.05)(+0.15) MeV (Gamma = 0.84 +/- 0.2 MeV), and 3.75 +/- 0.05 MeV (Gamma = 0.60 +/- 0.05 MeV) with the spin-parity assignments I-pi=1/2+,1/2,-,5/2+, respectively. Hence, N-11 is shown to have a ground …
Cross-sublattice Spin Pumping and Magnon Level Attraction in van der Waals Antiferromagnets
2020
We theoretically study spin pumping from a layered van der Waals antiferromagnet in its canted ground state into an adjacent normal metal. We find that the resulting dc spin pumping current bears contributions along all spin directions. Our analysis allows for detecting intra- and cross-sublattice spin-mixing conductances via measuring the two in-plane spin current components. We further show that sublattice symmetry-breaking Gilbert damping can be realized via interface engineering and induces a dissipative coupling between the optical and acoustic magnon modes. This realizes magnon level attraction and exceptional points in the system. Furthermore, the dissipative coupling and cross-subla…
Molecular excited state calculations with adaptive wavefunctions on a quantum eigensolver emulation: reducing circuit depth and separating spin states
2021
Ab initio electronic excited state calculations are necessary for the quantitative study of photochemical reactions, but their accurate computation on classical computers is plagued by prohibitive resource scaling. The Variational Quantum Deflation (VQD) is an extension of the quantum-classical Variational Quantum Eigensolver (VQE) algorithm for calculating electronic excited state energies, and has the potential to address some of these scaling challenges using quantum computers. However, quantum computers available in the near term can only support a limited number of quantum circuit operations, so reducing the quantum computational cost in VQD methods is critical to their realisation. In…
Simultaneous measurement of the muon neutrino charged-current cross section on oxygen and carbon without pions in the final state at T2K
2020
Authors: K. Abe,56 N. Akhlaq,45 R. Akutsu,57 A. Ali,32 C. Alt,11 C. Andreopoulos,54,34 L. Anthony,21 M. Antonova,19 S. Aoki,31 A. Ariga,2 T. Arihara,59 Y. Asada,69 Y. Ashida,32 E. T. Atkin,21 Y. Awataguchi,59 S. Ban,32 M. Barbi,46 G. J. Barker,66 G. Barr,42 D. Barrow,42 M. Batkiewicz-Kwasniak,15 A. Beloshapkin,26 F. Bench,34 V. Berardi,22 L. Berns,58 S. Bhadra,70 S. Bienstock,53 S. Bolognesi,6 T. Bonus,68 B. Bourguille,18 S. B. Boyd,66 A. Bravar,13 D. Bravo Berguño,1 C. Bronner,56 S. Bron,13 A. Bubak,51 M. Buizza Avanzini ,10 T. Campbell,7 S. Cao,16 S. L. Cartwright,50 M. G. Catanesi,22 A. Cervera,19 D. Cherdack,17 N. Chikuma,55 G. Christodoulou,12 M. Cicerchia,24,† J. Coleman,34 G. Collazu…
Synthesis, structural characterization and magnetic behaviour of a family of [CoIII2LnIII2] butterfly compounds
2017
We have successfully prepared and structurally characterized a family of butterfly-like [Co2 IIILn2 III] complexes where all magnetic properties are due to the Ln(iii) ions. The complexes with Ln = Tb(1), Dy(2), Ho(3), Er(4) and Yb(5) are iso-structural. An exception is the complex with Ln = Gd(6) which strings in a one dimensional chain. The structural similarity together with the high tendency of the crystallites to align under an applied magnetic field allowed an overall DC magnetic data treatment to extract phenomenological crystal field parameters and hence to determine the ground state multiplet energy level splitting. The Dy(iii) member is the only one showing slow relaxation of magn…
The closed form of the second-order energy shift for the discrete spectrum of atomic hydrogen
2004
The closed form of the second-order energy shift for the discrete spectrum of atomic hydrogen is obtained, which allows us to evaluate the level shift in both cases, when the intermediate states are in continuum and in the discrete spectrum, except the resonances. The values of the second-order shift of the energy of the ground state calculated by us are in good agreement with those obtained by us and other authors using the nonperturbative Floquet method in average up to a radiation intensity of 1015 W cm−2.
Constraints on the spatial variation of Planck constant
2021
AbstractInspired by recently published researches, we present two protocols for setting an upper limit to the claimed variation of$$\hbar $$ħupon the position. The protocols, both within today state of art, involve the use of two delayed laser pulses driving an atom. The distinct positions of the laboratory, due to the Earth motion, affects$$\hbar $$ħand hence the atomic dynamics. The first protocol measures the difference in population of the atomic ground state while the second one the red-shift of the harmonics emitted by the atom in the two moments of the experiment. The protocols improve the reported upper limit of$$\varDelta \hbar /\hbar $$Δħ/ħ. The theory shows that$$\hbar (\varvec{r…