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Computational materials science
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June Gunn Lee |
"Preface No longer underestimated, computational science has emerged as a powerful partner to experimental and theoretical studies. Accelerated by the ever-growing power of computers and new computat… |
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Molecular dynamics
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J. M. Seminario |
The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad ran… |
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From quantum to classical molecular dynamics
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"This text addresses such problems in quantum mechanics from the viewpoint of numerical analysis, illustrating them to a large extent on intermediate models between the Schrodinger equation of full m… |
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Synchrotron radiation and dynamic phenomena
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International Meeting of Physical Chemistry (48th 1991 Grenoble, France) |
xiii, 691 p. : 25 cm |
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Beyond Born-Oppenheimer
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INTRODUCING A POWERFUL APPROACH TO DEVELOPING RELIABLE QUANTUM MECHANICAL TREATMENTS OF A LARGE VARIETY OF PROCESSES IN MOLECULAR SYSTEMS. The Born-Oppenheimer approximation has been fundamental t… |
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