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Relevant bibliographies by topics / Hamiltonian Calculations

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Journal articles

Academic literature on the topic 'Hamiltonian Calculations'

Author: Grafiati

Published: 7 September 2023

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Journal articles on the topic "Hamiltonian Calculations"

1

Rai, S., A. Biswas, and B. Mukherjee. "Nuclear structure of low-lying states in 60,62,64,66Zn — A shell model description." International Journal of Modern Physics E 25, no. 11 (2016): 1650099. http://dx.doi.org/10.1142/s0218301316500993.

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Shell model calculation has been performed for even–even [Formula: see text]Zn using NuShellX code in [Formula: see text] model space with two different effective Hamiltonians, viz. JUN45 and jj44b. The low-lying structure is studied up to angular momentum, [Formula: see text] = 10[Formula: see text] by calculating level energies, reduced transition probabilities, occupation numbers, lifetimes, and quadrupole moments. The results of the calculations are compared with the available experimental data. It is observed that the inclusion of 1[Formula: see text] orbital in the model space is essenti

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2

Elyseeva, Julia. "The Oscillation Numbers and the Abramov Method of Spectral Counting for Linear Hamiltonian Systems." EPJ Web of Conferences 248 (2021): 01002. http://dx.doi.org/10.1051/epjconf/202124801002.

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In this paper we consider linear Hamiltonian differential systems which depend in general nonlinearly on the spectral parameter and with Dirichlet boundary conditions. For the Hamiltonian problems we do not assume any controllability and strict normality assumptions which guarantee that the classical eigenvalues of the problems are isolated. We also omit the Legendre condition for their Hamiltonians. We show that the Abramov method of spectral counting can be modified for the more general case of finite eigenvalues of the Hamiltonian problems and then the constructive ideas of the Abramov meth

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3

Coraggio, L., A. Covello, A. Gargano, and N. Itaco. "Core polarization and modern realistic shell-model Hamiltonians." International Journal of Modern Physics E 26, no. 01n02 (2017): 1740006. http://dx.doi.org/10.1142/s0218301317400067.

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The understanding of the convergence properties of the shell-model effective Hamiltonian, within the framework of the many-body perturbation theory, is a long-standing problem. The infinite summation of a certain class of diagrams, the so-called “bubble diagrams,” may be provided calculating the Kirson–Babu–Brown induced interaction, and provides a valid instrument to study whether or not the finite summation of the perturbative series is well-grounded. Here, we perform an application of the calculation of the Kirson–Babu–Brown induced interaction to derive the shell-model effective Hamiltonia

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4

Polley, Kritanjan, and Roger F. Loring. "Two-dimensional vibronic spectroscopy with semiclassical thermofield dynamics." Journal of Chemical Physics 156, no. 12 (2022): 124108. http://dx.doi.org/10.1063/5.0083868.

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Thermofield dynamics is an exactly correct formulation of quantum mechanics at finite temperature in which a wavefunction is governed by an effective temperature-dependent quantum Hamiltonian. The optimized mean trajectory (OMT) approximation allows the calculation of spectroscopic response functions from trajectories produced by the classical limit of a mapping Hamiltonian that includes physical nuclear degrees of freedom and other effective degrees of freedom representing discrete vibronic states. Here, we develop a thermofield OMT (TF-OMT) approach in which the OMT procedure is applied to a

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5

Tuszyński, J. A., and J. M. Dixon. "A Quantum Field Theoretical Analysis of Spin-Half Metamagnetism." International Journal of Modern Physics B 11, no. 12 (1997): 1445–62. http://dx.doi.org/10.1142/s0217979297000733.

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A number of metallic compounds such as FeRh, Mn3GaC , and FeCl2 exhibit the interesting property of metamagnetism, i.e. the presence of order–order magnetic-phase transitions. The microscopic Hamiltonian that is commonly used to describe this class of system is of Heisenberg type with competing exchange interactions between the nearest- and next-nearest neighbours. Starting from this quantum Hamiltonian, through several transformations, it is possible to obtain an effective second-quantized Hamiltonian which has a two-body interaction term. A recent method of analyzing such Hamiltonians is the

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6

MARTIN, RICHARD M. "Derivation of Models for the Interacting Electrons in Cu-O Superconductors." International Journal of Modern Physics C 02, no. 01 (1991): 105–14. http://dx.doi.org/10.1142/s0129183191000111.

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Key questions for theory of high temperature superconductors involve the nature of the electronic system: the minimum essential Hamiltonian and the low energy states of such Hamiltonians. To attempt to answer these questions we are carrying out studies using constrained density functional (CDF) methods to identify the relevant electronic states and realistic values of the parameters, combined with exact calculations on the reduced model Hamiltonians. The CDF calculations lead to a 3-band Hubbard model for Cu-O planes with parameters in general agreement with high energy spectroscopies and low

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7

Seke, J., A. V. Soldatov, and N. N. Bogolubov. "Novel Technique for Quantum-Mechanical Eigenstate and Eigenvalue Calculations based on Seke's Self-Consistent Projection-Operator Method." Modern Physics Letters B 11, no. 06 (1997): 245–58. http://dx.doi.org/10.1142/s0217984997000311.

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Seke's self-consistent projection-operator method has been developed for deriving non-Markovian equations of motion for probability amplitudes of a relevant set of state vectors. This method, in a Born-like approximation, leads automatically to an Hamiltonian restricted to a subspace and thus enables the construction of effective Hamiltonians. In the present paper, in order to explain the efficiency of Seke's method in particular applications, its algebraic operator structure is analyzed and a new successive approximation technique for the calculation of eigenstates and eigenvalues of an arbit

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8

Li, Yanting, Gediminas Gaigalas, Wenxian Li, Chongyang Chen, and Per Jönsson. "Fine-Tuning of Atomic Energies in Relativistic Multiconfiguration Calculations." Atoms 11, no. 4 (2023): 70. http://dx.doi.org/10.3390/atoms11040070.

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Ab initio calculations sometimes do not reproduce the experimentally observed energy separations at a high enough accuracy. Fine-tuning of diagonal elements of the Hamiltonian matrix is a process which seeks to ensure that calculated energy separations of the states that mix are in agreement with experiment. The process gives more accurate measures of the mixing than can be obtained in ab initio calculations. Fine-tuning requires the Hamiltonian matrix to be diagonally dominant, which is generally not the case for calculations based on jj-coupled configuration state functions. We show that thi

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9

S. Almeida, Nuno M., Timothé R. L. Melin, Sasha C. North, Bradley K. Welch, and Angela K. Wilson. "Ab initio composite strategies and multireference approaches for lanthanide sulfides and selenides." Journal of Chemical Physics 157, no. 2 (2022): 024105. http://dx.doi.org/10.1063/5.0094367.

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The f-block ab initio correlation consistent composite approach was used to predict the dissociation energies of lanthanide sulfides and selenides. Geometry optimizations were carried out using density functional theory and coupled cluster singles, doubles, and perturbative triples with one- and two-component Hamiltonians. For the two-component calculations, relativistic effects were accounted for by utilizing a third-order Douglas–Kroll–Hess Hamiltonian. Spin–orbit coupling was addressed with the Breit–Pauli Hamiltonian within a multireference configuration interaction approach. The state ave

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10

Xia, Rongxin, Teng Bian, and Sabre Kais. "Electronic Structure Calculations and the Ising Hamiltonian." Journal of Physical Chemistry B 122, no. 13 (2017): 3384–95. http://dx.doi.org/10.1021/acs.jpcb.7b10371.

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