Perfilado de sección
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LECTURES N.2 AND 3, SEP 26 and 28 2023.
-Molecular structures and the Born-Oppenheimer approximation
-Basic principles of Ab-initio Molecular Dynamics: Born-Oppenheimer surfaces
-Hellman-Feynman TheoremMODELLING ε0(R) ---> FORCE FIELDS
Morse potential as the simplest force field
Force field as a network (just the concept)
Pairwise additive approximation
General form of a force field: bonded terms/non bonded terms
BIBLIOGRAPHY
Tuckerman_Born-Oppenheimer.pdf
Griebel2007_Numerical Simulation in Molecular Dynamics_Chap2.pdf [S]
Feynman1939,pdf [R] -