يعرض 1 - 10 نتائج من 1,021 نتيجة بحث عن '"QUANTUM Monte Carlo method"', وقت الاستعلام: 1.24s تنقيح النتائج
  1. 1
    دورية أكاديمية
    Dense-sparse quantum Monte Carlo algebraic diagrammatic construction and importance ranking.

    المؤلفون: Kulahlioglu, Adem Halil1 (AUTHOR) adem.kulahlioglu@uni-heidelberg.de, Dreuw, Andreas1 (AUTHOR) dreuw@uni-heidelberg.de

    المصدر: Journal of Chemical Physics. 5/28/2024, Vol. 160 Issue 20, p1-17. 17p.

    مصطلحات موضوعية: *CONFIGURATION space, *QUANTUM Monte Carlo method


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  2. 2
    دورية أكاديمية
    X marks the spot: Accurate energies from intersecting extrapolations of continuum quantum Monte Carlo data.

    المؤلفون: Hosseini, Seyed Mohammadreza1 (AUTHOR), Alavi, Ali1,2 (AUTHOR), López Ríos, Pablo1 (AUTHOR) p.lopez.rios@fkf.mpg.de

    المصدر: Journal of Chemical Physics. 5/21/2024, Vol. 160 Issue 19, p1-10. 10p.

    مصطلحات موضوعية: *QUANTUM Monte Carlo method, *WAVE functions, *SMOOTHNESS of functions, *EXTRAPOLATION


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  3. 3
    دورية أكاديمية
    TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methods.

    المؤلفون: Nakano, Kousuke1,2 (AUTHOR) kousuke_1123@icloud.com, Kohulák, Oto1,3 (AUTHOR), Raghav, Abhishek1,4 (AUTHOR), Casula, Michele4 (AUTHOR), Sorella, Sandro1 (AUTHOR)

    المصدر: Journal of Chemical Physics. 12/14/2023, Vol. 159 Issue 22, p1-21. 21p.

    مصطلحات موضوعية: *QUANTUM Monte Carlo method, *AB-initio calculations, *PYTHON programming language, *DENSITY functional theory, *PYTHONS, *QUANTUM chemistry


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  4. 4
    دورية أكاديمية
    Response properties in phaseless auxiliary field quantum Monte Carlo.

    المؤلفون: Mahajan, Ankit1,2 (AUTHOR) ankitmahajan76@gmail.com, Kurian, Jo S.2 (AUTHOR), Lee, Joonho1,3 (AUTHOR), Reichman, David R.1 (AUTHOR), Sharma, Sandeep2 (AUTHOR) sanshar@gmail.com

    المصدر: Journal of Chemical Physics. 11/14/2023, Vol. 159 Issue 18, p1-10. 10p.

    مصطلحات موضوعية: *AUTOMATIC differentiation, *QUANTUM Monte Carlo method, *DENSITY functional theory, *MOLECULAR magnetic moments, *DIPOLE moments, *NUMERICAL calculations, *DENSITY matrices, *COVARIANCE matrices


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  5. 5
    دورية أكاديمية
    What can lattice DFT teach us about real-space DFT?

    المؤلفون: Sobrino, Nahual1 (AUTHOR), Jacob, David1,2 (AUTHOR), Kurth, Stefan1,2,3 (AUTHOR) stefan.kurth@ehu.es

    المصدر: Journal of Chemical Physics. 2023, Vol. 159 Issue 15, p1-9. 9p.

    مصطلحات موضوعية: *QUANTUM Monte Carlo method, *DENSITY functional theory, *CANONICAL ensemble, *SYMMETRY breaking


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  6. 6
    دورية أكاديمية
    Shaping membrane vesicles by adsorption of hinge-like nanoparticles.

    المؤلفون: Li, Bing, Abel, Steven M.

    المصدر: Journal of Chemical Physics; 5/21/2024, Vol. 160 Issue 19, p1-12, 12p

    مصطلحات موضوعية: POLYMERIC membranes, MONTE Carlo method, DNA nanotechnology, NANOPARTICLES, ADSORPTION (Chemistry), DEFORMATION of surfaces, QUANTUM Monte Carlo method


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  7. 7
    دورية أكاديمية
    Classical and quantum trial wave functions in auxiliary-field quantum Monte Carlo applied to oxygen allotropes and a CuBr2 model system.

    المؤلفون: Amsler, Maximilian1 (AUTHOR), Deglmann, Peter2,3 (AUTHOR), Degroote, Matthias4 (AUTHOR), Kaicher, Michael P.3 (AUTHOR) michael.streif@boehringer-ingelheim.com, Kiser, Matthew5,6 (AUTHOR), Kühn, Michael2,3 (AUTHOR), Kumar, Chandan7 (AUTHOR), Maier, Andreas8 (AUTHOR), Samsonidze, Georgy9 (AUTHOR), Schroeder, Anna10,11 (AUTHOR), Streif, Michael4 (AUTHOR), Vodola, Davide3 (AUTHOR), Wever, Christopher1 (AUTHOR)

    المصدر: Journal of Chemical Physics. 7/28/2023, Vol. 159 Issue 4, p1-14. 14p.

    مصطلحات موضوعية: *QUANTUM Monte Carlo method, *WAVE functions, *GROUND state energy, *MATERIALS science, *REACTIVE oxygen species, *QUANTUM computers


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  8. 8
    دورية أكاديمية
    Phaseless auxiliary field quantum Monte Carlo with projector-augmented wave method for solids.

    المؤلفون: Taheridehkordi, Amir1 (AUTHOR) amir.taheridehkordi@univie.ac.at, Schlipf, Martin2 (AUTHOR), Sukurma, Zoran3 (AUTHOR), Humer, Moritz3 (AUTHOR), Grüneis, Andreas4 (AUTHOR), Kresse, Georg1,2 (AUTHOR)

    المصدر: Journal of Chemical Physics. 7/28/2023, Vol. 159 Issue 4, p1-14. 14p.

    مصطلحات موضوعية: *QUANTUM Monte Carlo method, *NATURAL orbitals, *EQUATIONS of state, *SINGULAR value decomposition


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  9. 9
    دورية أكاديمية
    Monte Carlo Based Techniques for Quantum Magnets with Long-Range Interactions.

    المؤلفون: Adelhardt, Patrick1 (AUTHOR), Koziol, Jan A.1 (AUTHOR), Langheld, Anja1 (AUTHOR), Schmidt, Kai P.1 (AUTHOR) kai.phillip.schmidt@fau.de

    المصدر: Entropy. May2024, Vol. 26 Issue 5, p401. 135p.

    مصطلحات موضوعية: *MONTE Carlo method, *QUANTUM Monte Carlo method, *CONDENSED matter physics, *QUANTUM phase transitions, *UNITARY transformations, *MAGNETS, *EMBEDDING theorems

    النص الكامل

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  10. 10
    دورية أكاديمية
    PyQMC: An all-Python real-space quantum Monte Carlo module in PySCF.

    المؤلفون: Wheeler, William A.1 (AUTHOR), Pathak, Shivesh2 (AUTHOR), Kleiner, Kevin G.3 (AUTHOR), Yuan, Shunyue4 (AUTHOR), Rodrigues, João N. B.5 (AUTHOR), Lorsung, Cooper6 (AUTHOR), Krongchon, Kittithat3 (AUTHOR), Chang, Yueqing7 (AUTHOR), Zhou, Yiqing8 (AUTHOR), Busemeyer, Brian9 (AUTHOR), Williams, Kiel T.10 (AUTHOR), Muñoz, Alexander3 (AUTHOR), Chow, Chun Yu3 (AUTHOR), Wagner, Lucas K.3 (AUTHOR) lkwagner@illinois.edu

    المصدر: Journal of Chemical Physics. 3/21/2023, Vol. 158 Issue 11, p1-10. 10p.

    مصطلحات موضوعية: *QUANTUM Monte Carlo method, *WAVE functions, *ELECTRONS, *ALGORITHMS


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