يعرض 1 - 20 نتائج من 91,880 نتيجة بحث عن '"INTEGRALS"', وقت الاستعلام: 0.63s تنقيح النتائج
  1. 1
    Academic Journal
    Pair approximating the action for molecular rotations in path integral Monte Carlo.

    المؤلفون: Moeed, Muhammad Shaeer1 (AUTHOR), Serwatka, Tobias1 (AUTHOR), Roy, Pierre-Nicholas1 (AUTHOR) pnroy@uwaterloo.ca

    المصدر: Journal of Chemical Physics. 1/14/2025, Vol. 162 Issue 2, p1-11. 11p.

    مصطلحات موضوعية: *MOLECULAR rotation, *PATH integrals, *DENSITY matrices, *DIPOLE interactions, *RENORMALIZATION group


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  2. 2
    Academic Journal
    Path integral Monte Carlo in a discrete variable representation with Gibbs sampling: Dipolar planar rotor chain.

    المؤلفون: Zhang, Wenxue1 (AUTHOR), Moeed, Muhammad Shaeer1 (AUTHOR), Bright, Andrew1 (AUTHOR), Serwatka, Tobias1 (AUTHOR), De Oliveira, Estevao1 (AUTHOR), Roy, Pierre-Nicholas1 (AUTHOR) pnroy@uwaterloo.ca

    المصدر: Journal of Chemical Physics. 1/7/2025, Vol. 162 Issue 1, p1-10. 10p.

    مصطلحات موضوعية: *DENSITY matrices, *PATH integrals, *MATRIX multiplications, *RENORMALIZATION group, *DEGREES of freedom, *GIBBS sampling


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  3. 3
    Academic Journal
    Calculation of thermodynamic properties of helium using path integral Monte Carlo simulations in the NpT ensemble and ab initio potentials.

    المؤلفون: Marienhagen, Philipp1 (AUTHOR) philipp.marienhagen@hsu-hh.de, Meier, Karsten1 (AUTHOR) karsten.meier@hsu-hh.de

    المصدر: Journal of Chemical Physics. 12/14/2024, Vol. 161 Issue 22, p1-21. 21p.

    مصطلحات موضوعية: *THERMODYNAMICS, *PATH integrals, *MONTE Carlo method, *SPEED of sound, *STATISTICAL ensembles, *EQUATIONS of state


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  4. 4
    Academic Journal
    Proton quantal delocalization and H/D translocations in (MeOH)nH+ (n = 2, 3).

    المؤلفون: Méndez, Emilio1 (AUTHOR), Laria, Daniel2 (AUTHOR), Hunt, Diego3 (AUTHOR) diegohunt@integra.cnea.gov.ar

    المصدر: Journal of Chemical Physics. 11/7/2024, Vol. 161 Issue 17, p1-11. 11p.

    مصطلحات موضوعية: *MOLECULAR dynamics, *PATH integrals, *PERTURBATION theory, *PREDICTION theory, *PROTONS


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  5. 5
    Academic Journal
    Efficient quantum mechanical minimum free energy path calculation by combining path integral hybrid Monte Carlo and climbing image nudged elastic band methods, and its application to the addition reaction of hydrogen isocyanide to formaldehyde.

    المؤلفون: Io, Aiko1,2 (AUTHOR), Suzuki, Kimichi3,4,5 (AUTHOR) kimichi-suzuki@ma.dic.co.jp, Takagi, Makito1 (AUTHOR), Tachikawa, Masanori1 (AUTHOR) ki_suzuki@eis.hokudai.ac.jp

    المصدر: Journal of Chemical Physics. 11/7/2024, Vol. 161 Issue 17, p1-9. 9p.

    مصطلحات موضوعية: *PATH integrals, *OXONIUM ions, *ACTIVATION energy, *ADDITION reactions, *TEMPERATURE effect


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  6. 6
    Academic Journal
    Grassmann time-evolving matrix product operators: An efficient numerical approach for fermionic path integral simulations.

    المؤلفون: Xu, Xiansong1,2 (AUTHOR) physcrf@sicnu.edu.cn, Guo, Chu3 (AUTHOR), Chen, Ruofan1 (AUTHOR)

    المصدر: Journal of Chemical Physics. 10/21/2024, Vol. 161 Issue 15, p1-17. 17p.

    مصطلحات موضوعية: *MATRIX multiplications, *PATH integrals, *ANDERSON model, *QUANTUM theory, *ALGEBRA


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  7. 7
    Academic Journal
    Accurate nuclear quantum statistics on machine-learned classical effective potentials.

    المؤلفون: Zaporozhets, Iryna1,2,3 (AUTHOR), Musil, Félix1 (AUTHOR), Kapil, Venkat4,5,6 (AUTHOR) v.kapil@ucl.ac.uk, Clementi, Cecilia1,2,3 (AUTHOR) cecilia.clementi@fu-berlin.de

    المصدر: Journal of Chemical Physics. 10/7/2024, Vol. 161 Issue 13, p1-10. 10p.

    مصطلحات موضوعية: *QUANTUM statistics, *PATH integrals, *PSEUDOPOTENTIAL method, *DEEP learning, *MOLECULAR dynamics


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  8. 8
    Academic Journal
    Nonlinear Langevin functionals for a driven probe.

    المؤلفون: Caspers, Juliana1 (AUTHOR) j.caspers@theorie.physik.uni-goettingen.de, Krüger, Matthias1 (AUTHOR) matthias.kruger@uni-goettingen.de

    المصدر: Journal of Chemical Physics. 9/28/2024, Vol. 161 Issue 12, p1-12. 12p.

    مصطلحات موضوعية: *VOLTERRA series, *PATH integrals, *NONLINEAR theories, *STATISTICAL correlation, *CUMULANTS


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  9. 9
    Academic Journal
    Martingale-driven integrals and singular SPDEs.

    المؤلفون: Grazieschi, P.1 (AUTHOR), Matetski, K.2 (AUTHOR) matetski@msu.edu, Weber, H.3 (AUTHOR)

    المصدر: Probability Theory & Related Fields. Dec2024, Vol. 190 Issue 3/4, p1063-1120. 58p.

    مصطلحات موضوعية: WIENER integrals, STOCHASTIC integrals, STOCHASTIC systems, WIENER processes, MARTINGALES (Mathematics)


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  10. 10
    Academic Journal
    3-center and 4-center 2-particle Gaussian AO integrals on modern accelerated processors.

    المؤلفون: Asadchev, Andrey1 (AUTHOR), Valeev, Edward F.1 (AUTHOR) efv@vt.edu

    المصدر: Journal of Chemical Physics. 6/28/2024, Vol. 160 Issue 24, p1-11. 11p.

    مصطلحات موضوعية: *ATOMIC orbitals, *INTEGRALS, *C++


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  11. 11
    Academic Journal
    DL_POLY Quantum 2.0: A modular general-purpose software for advanced path integral simulations.

    المؤلفون: London, Nathan1 (AUTHOR), Limbu, Dil K.1,2 (AUTHOR), Momeni, Mohammad R.1 (AUTHOR) mmomenitaheri@umkc.edu, Shakib, Farnaz A.2 (AUTHOR) shakib@njit.edu

    المصدر: Journal of Chemical Physics. 4/7/2024, Vol. 160 Issue 13, p1-15. 15p.

    مصطلحات موضوعية: *PATH integrals, *FEYNMAN integrals, *MOLECULAR dynamics, *QUANTUM mechanics, *INFRARED absorption


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  12. 12
    Academic Journal
    Generalized Stochastic Integration and Financial Modeling.

    المؤلفون: Floros, Christos1 (AUTHOR), Gkillas, Konstantinos2 (AUTHOR), Kountzakis, Christos3 (AUTHOR) chr_koun@aegean.gr

    المصدر: Annals of Financial Economics. Dec2024, p1. 14p.

    مصطلحات موضوعية: *STOCHASTIC processes, STOCHASTIC integrals, ARRHENIUS equation, RIEMANN integral, REAL variables


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  13. 13
    Academic Journal
    Impacts of different gamified problem-solving integration approaches on elementary math: an engagement and metacognitive knowledge perspective.

    المؤلفون: Pan, Zilong1 (AUTHOR) Zip322@lehigh.edu, Li, Shan1 (AUTHOR), Zheng, Juan1 (AUTHOR), Biegley, Lauren Tillstrom1 (AUTHOR)

    المصدر: Journal of Research on Technology in Education. Dec2024, p1-28. 28p. 12 Illustrations.

    مصطلحات موضوعية: *PROBLEM solving, INTEGRALS, STUDENT engagement, EDUCATIONAL outcomes, GAMIFICATION, WORD problems (Mathematics)


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  14. 14
    Academic Journal
    Ab initio path integral Monte Carlo simulations of warm dense two-component systems without fixed nodes: Structural properties.

    المؤلفون: Dornheim, Tobias1,2 (AUTHOR) t.dornheim@hzdr.de, Schwalbe, Sebastian1,2 (AUTHOR), Böhme, Maximilian P.1,2,3 (AUTHOR), Moldabekov, Zhandos A.1,2 (AUTHOR), Vorberger, Jan2 (AUTHOR), Tolias, Panagiotis4 (AUTHOR)

    المصدر: Journal of Chemical Physics. 4/28/2024, Vol. 160 Issue 16, p1-18. 18p.

    مصطلحات موضوعية: *MONTE Carlo method, *PATH integrals, *MATERIALS science, *DENSITY matrices, *LIGHT elements


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  15. 15
    Academic Journal
    Multiple-time scale integration method based on an interpolated potential energy surface for ab initio path integral molecular dynamics.

    المؤلفون: Zheng, Jingjing1 (AUTHOR) zheng@gaussian.com, Frisch, Michael J.1 (AUTHOR)

    المصدر: Journal of Chemical Physics. 4/14/2024, Vol. 160 Issue 14, p1-11. 11p.

    مصطلحات موضوعية: *POTENTIAL energy surfaces, *PATH integrals, *MOLECULAR dynamics, *GIBBS' energy diagram, *ENERGY conservation


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  16. 16
    Academic Journal
    Cameron–Martin type theorem for a class of non-Gaussian measures.

    المؤلفون: da Silva, J. L.1 (AUTHOR) joses@staff.uma.pt, Erraoui, M.2 (AUTHOR), Röckner, M.3,4 (AUTHOR)

    المصدر: Stochastic Analysis & Applications. 2024, Vol. 42 Issue 5, p896-919. 24p.

    مصطلحات موضوعية: WIENER integrals, INTEGRALS, MATHEMATICAL formulas, FRACTIONAL integrals, DIRECTIONAL derivatives


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  17. 17
    Conference
    A New Method for Solving the Integrals of the Mohr-Maxwell Method for Displacements Calculus of Bent Straight Bars.

    المؤلفون: Năstăsescu, Vasile1 nastasescuv@gmail.com, Bârsan, Ghiță1

    المصدر: International Conference KNOWLEDGE-BASED ORGANIZATION. Jun2024, Vol. 30 Issue 3, p1-7. 7p.

    مصطلحات موضوعية: INTEGRALS, CALCULUS, INTEGRAL calculus, DEFINITE integrals, INTEGRAL operators

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  18. 18
    Academic Journal
    Collision integrals within the Chapman–Enskog theory for a generalized Lennard-Jones potential.

    المؤلفون: Perko, Joseph R., Xantheas, Sotiris S.

    المصدر: Journal of Chemical Physics; 1/21/2025, Vol. 162 Issue 3, p1-9, 9p

    مصطلحات موضوعية: KINETIC theory of gases, INTERMOLECULAR interactions, DIFFUSION coefficients, VISCOSITY, INTEGRALS, COLLISION broadening


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  19. 19
    Academic Journal
    h-CMD: An efficient hybrid fast centroid and quasi-centroid molecular dynamics method for the simulation of vibrational spectra.

    المؤلفون: Limbu, Dil K., London, Nathan, Faruque, Md Omar, Momeni, Mohammad R.

    المصدر: Journal of Chemical Physics; 1/7/2025, Vol. 162 Issue 1, p1-12, 12p

    مصطلحات موضوعية: CURVILINEAR coordinates, MOLECULAR dynamics, CONDENSED matter, INFRARED spectra, PATH integrals


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  20. 20
    Conference
    New calculation of collision integrals for cosmological phase transitions.

    المؤلفون: Branchina, Carlo1,2 carlo.branchina@unical.it, Conaci, Angela1,2 angela.conaci@unical.it, De Curtis, Stefania3 stefania.decurtis@fi.infn.it, Delle Rose, Luigi1,2 luigi.dellerose@unical.it, Guiggiani, Andrea3 andrea.guiggiani@unifi.it, Gil Muyor, Ángel4 agil@ifae.es, Panico, Giuliano3 giuliano.panico@unifi.it

    المصدر: EPJ Web of Conferences. 12/10/2024, Vol. 314, p1-7. 7p.

    مصطلحات موضوعية: *COLLISION integrals, *PHASE transitions, *BOLTZMANN factor, *VELOCITY, *SPEED

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