On the Method of Correct Determination of Eigenvalues of a Truncated Hamiltonian Matrix on the Example of a Morse Oscillator; Russian Physics Journal; Vol. 63, iss. 9

On the Method of Correct Determination of Eigenvalues of a Truncated Hamiltonian Matrix on the Example of a Morse Oscillator; Russian Physics Journal; Vol. 63, iss. 9

Библиографические подробности
Источник:	Russian Physics Journal Vol. 63, iss. 9.— 2021.— [P. 1639-1645]
Корпоративные авторы:	Национальный исследовательский Томский политехнический университет Инженерная школа ядерных технологий Отделение экспериментальной физики, Национальный исследовательский Томский политехнический университет Исследовательская школа физики высокоэнергетических процессов
Другие авторы:	Bekhtereva E. S. Elena Sergeevna, Gromova O. V. Olga Vasilievna, Glushkov P. A. Petr Alekseevich, Belova A. S. Anastasiya Sergeevna
Примечания:	Title screen A method of precise determination of the eigenvalues of energies of the molecular Hamiltonian based on high-order perturbation theory has been developed and implemented for a diatomic molecule. The proposed method makes it possible not only to obtain the energy values, but also to estimate the accuracy of their prediction and the applicability limits for the employed model. Numerical calculations have been performed for the extended Morse oscillator with corrections for the potential functions up to the sixth power of the Morse coordinate. The results obtained are compared with the results of calculation for the model of the truncated Hamiltonian matrix. The possibilities of application of the method are analyzed compared to other approaches to the determination of the potential functions for polyatomic molecules. Режим доступа: по договору с организацией-держателем ресурса
Язык:	английский
Опубликовано:	2021
Предметы:	электронный ресурс труды учёных ТПУ intramolecular potential function Morse oscillator eigenvalues of the molecular Hamiltonian
Online-ссылка:	https://doi.org/10.1007/s11182-021-02216-6
Формат:	Электронный ресурс Статья
Запись в KOHA:	https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=663560

Схожие документы

The Zero Point Position in Morse’s potential and accurate prediction of thermal expansion in metals; Chemical Physics; Vol. 515
по: Benassi E. Enriko
Опубликовано: (2018)

A Method for the Precise Determination of the Intramolecular Potential Energy Surface on the Basis of Microwave and Submillimeter-Wave Spectra: Diatomic Molecules as a Relevant Illustration; International Journal of Molecular Sciences; Vol. 26, iss. 2
Опубликовано: (2025)

Новый уникальный метод точного определения потенциальной функции молекул на основе спектров микроволновых и субмиллиметровых волн: двухатомная молекула; Перспективы развития фундаментальных наук; Т. 1 : Физика
по: Сидько С. С.
Опубликовано: (2025)

Asymptotic expansion of the one-loop O-potential of quantum fields with a quadratic dispersion law; Russian Physics Journal; Vol. 54, iss. 5
по: Kazinskii P. O.
Опубликовано: (2011)

Study of the High-Resolution Fourier Spectrum of the ν9 and ν2 + ν7 + ν8 Bands of the С2D4 Molecule; Russian Physics Journal; Vol. 62, iss. 2
Опубликовано: (2019)

HCl : Высокоточный ab initio потенциал и колебательный спектр; Перспективы развития фундаментальных наук; Т. 1 : Физика
по: Линь Чэнь
Опубликовано: (2025)

Study of the Rotational Structure of the v2 Inversion Band of the 15NH2D Molecule; Russian Physics Journal; Vol. 60, iss. 12
по: Fomchenko A. L. Anna Leonidovna
Опубликовано: (2018)

An Analysis of Vibrations and Rotations in the First Hydrogen Sulfide Hexade: the 4ν2 H322S Band; Optics and Spectroscopy; Vol. 129, iss. 1
по: Zhang Fangce
Опубликовано: (2021)

Deremination of potential function of AsH3 molecule on the basis of experimental data; Bulletin of the Tomsk Polytechnic University; Vol. 309, № 4
Опубликовано: (2006)

Determining the Parameters of the Ground Vibrational State of the NH2D and NHD2 Molecules; Russian Physics Journal; Vol. 60, iss. 2
по: Fomchenko A. L. Anna Leonidovna
Опубликовано: (2017)

Determination of Irreducible Rotational Operators on the Rotation SO(3) Group and Td Point Symmetry Group; Russian Physics Journal; Vol. 61, iss. 3
Опубликовано: (2018)

Analysis of the High-Resolution Spectrum of Molecules in Doublet Electronic States: Fundamental ν3 Band of Chlorine Dioxide (16O35Cl16O) in the Ground Electronic State X 2B1; Optics and Spectroscopy; Vol. 129, iss. 8
Опубликовано: (2021)

One-loop omega-potential of quantum fields with ellipsoid constant-energy surface dispersion law; Annals of Physics; Vol. 326, iss. 10
по: Kazinski P. O.
Опубликовано: (2011)

Analysis of the Fourier Spectrum of the ν2 Inversion Band of the 15NHD2 Molecule; Russian Physics Journal; Vol. 61, iss. 2
Опубликовано: (2018)

High-Resolution Spectroscopy of Asymmetric Top Molecules in Non-Singlet Electronic States: ν1 + ν3 Band of the ClO2 Molecule; Optics and Spectroscopy; Vol. 130, iss. 7
Опубликовано: (2022)

Hamiltonian dynamics of Darwin systems; Physica D: Nonlinear Phenomena; Vol. 112, iss. 3-4
по: Shapovalov A. V. Aleksandr Vasilyevich
Опубликовано: (1998)

Determination of the Absolute Intensities of Spectral Lines of the 12С2H4 Molecule; Russian Physics Journal; Vol. 61, iss. 6
по: Aslapovskaya Yu. S. Yuliya Sergeevna
Опубликовано: (2018)

Analysis of the Ground Vibrational State of the Ethylene-1-13C (13C12CH4) Molecule; Russian Physics Journal; Vol. 60, iss. 2
Опубликовано: (2017)

Intramolecular amination via acid-catalyzed rearrangement of azides: a potent alternative to intermolecular direct electrophilic route; Journal of Molecular Modeling; Vol. 27, iss. 10
по: Stankevich K. S. Kseniya Sergeevna
Опубликовано: (2021)

Исследование фильтрационных и реологических свойств полимерного геля для повышения нефтеотдачи пластов; Известия Томского политехнического университета [Известия ТПУ]. Инжиниринг георесурсов; Т. 330, № 4
Опубликовано: (2019)

Selectivity of Electromagnetic Influence on the Oscillations of a Heavy Conductive Liquid in a Channel; Journal of Applied and Industrial Mathematics; Vol. 13, iss. 2
по: Tomilin A. K. Aleksander Konstantinovich
Опубликовано: (2019)

Peculiarities of electromagnetic oscillations generated by a charged particle crossing the planar boundary between a conducting medium and a vacuum; Resource-Efficient Technologies; No 4
Опубликовано: (2018)

Определение резонансных частот шаровой капли воды в масляной среде; Известия Томского политехнического университета [Известия ТПУ]. Инжиниринг георесурсов; Т. 333, № 10
по: Филипас А. А. Александр Александрович
Опубликовано: (2022)

Расчет коэффициента сверхсжимаемости основных компонент природного газа методом молекулярной динамики; Известия Томского политехнического университета [Известия ТПУ]. Инжиниринг георесурсов; Т. 330, № 11
по: Малышев В. Л. Виктор Леонидович
Опубликовано: (2019)

Reducing Oscillations in Suspension of Mine Monorail Track; Applied Sciences; Vol. 13, iss. 8
Опубликовано: (2023)

Control System Robust Controller Parametric Synthesis Based on Coefficient Estimation of Stability and Oscillation Indices; The 7th International Forum on Strategic Technology (IFOST-2012), September 18-21, 2012, Tomsk
по: Pushkarev M. I. Maksim Ivanovich
Опубликовано: (2012)

Efficient Catalytic Synthesis of Condensed Isoxazole Derivatives via Intramolecular Oxidative Cycloaddition of Aldoximes; Molecules; Vol. 27, iss. 12
Опубликовано: (2022)

First comprehensive high resolution study of the 28SiH octad bending bands; Journal of Quantitative Spectroscopy and Radiative Transfer; Vol. 331
Опубликовано: (2025)

Radiation of relativistic 'harmonic' oscillator; European Journal of Physics; Vol. 43, iss. 6
по: Bogdanova J. V. Julia Vyacheslavovna
Опубликовано: (2022)

Signatures and Mechanism Analysis of Converter-Grid Subsynchronous Oscillations; Mathematics; Vol. 12, iss. 24
Опубликовано: (2024)

Interaction features between the drive system and the oscillation system in the hydraulic volumetric vibration machine; Mechanical Engineering, Automation and Control Systems (MEACS)
по: Angatkina O. O.
Опубликовано: (2014)

Sensitive elements of basic direction «East - West» with oscillating mass for a gravitational-inertial compass; Bulletin of the Tomsk Polytechnic University; Vol. 309, № 4
по: Dmitriev V. S. Viktor Stepanovich
Опубликовано: (2006)

GHz relativistic traveling wave oscillator with short transient time based on a circular corrugated waveguide; Energy Fluxes and Radiation Effects (EFRE-2016)
Опубликовано: (2016)

Damping of low-frequency oscillation using renewable generation units; Energy Reports; Vol. 9, supp. 8 : The 3rd International Conference on Power Engineering (ICPE 2022)
по: Ufa R. A. Ruslan Alexandrovich
Опубликовано: (2023)

Relaxation damping in contacts under superimposed normal and torsional oscillation; Physical Mesomechanics; Vol. 19, iss. 2
по: Popov M. Mikhail
Опубликовано: (2016)

Analysis of low-frequency oscillation in power system with renewable energy sources; Energy Reports; Vol. 8
Опубликовано: (2022)

Active control of friction by transverse oscillations; Friction; Vol. 7, iss. 1
Опубликовано: (2019)

Coherent microwave powers summation of nanosecond Gunn oscillators with initial phases fixed by the leading edges of sinhronized modulators; Energy Fluxes and Radiation Effects (EFRE-2016)
Опубликовано: (2016)

Прочностные и динамические расчеты в программном комплексе ANSYS WORKBENCH учебное пособие
по: Оконечников А. С.
Опубликовано: (Москва, МАИ, 2021)

Stability Improvement of a Multimachine Power System Connected With a Large-Scale Hybrid Wind-Photovoltaic Farm Using a Supercapacitor; IEEE Transactions on Industry Applications; Vol. 54, iss. 1
по: Li Wang
Опубликовано: (2018)