Libro adottato a Politecnico di Milano, a.a. 2026/2027 · 6 canali
«Tildesley – Computer Simulation of Liquids» è adottato per Molecular Modeling Of Materials dal prof. Guido Raos (Biomedical Engineering, Chemical Engineering - Ingegneria Chimica, Engineering Physics e altri corsi – Politecnico di Milano).
Come lo indica il docente: M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids, 2nd edition, Oxford University Press, Anno edizione: 2017, ISBN: 9780198803201
Argomenti del programma: Introduction to molecular modelling : overview of problems and approaches. Elements of molecular quantum mechanics : Schroedinger equation, Born-Oppenheimer approximation, electronic wavefunctions, independent-particle model, molecular orbital (MO) theory, basis sets. Molecular properties: the electron density and the molecular electrostatic potential. Electron correlation and the bond dissociation problem.
Argomenti del programma: Introduction to molecular modelling : overview of problems and approaches. Elements of molecular quantum mechanics : Schroedinger equation, Born-Oppenheimer approximation, electronic wavefunctions, independent-particle model, molecular orbital (MO) theory, basis sets. Molecular properties: the electron density and the molecular electrostatic potential. Electron correlation and the bond dissociation problem.
Argomenti del programma: Introduction to molecular modelling : overview of problems and approaches. Elements of molecular quantum mechanics : Schroedinger equation, Born-Oppenheimer approximation, electronic wavefunctions, independent-particle model, molecular orbital (MO) theory, basis sets. Molecular properties: the electron density and the molecular electrostatic potential. Electron correlation and the bond dissociation problem.
Argomenti del programma: Introduction to molecular modelling : overview of problems and approaches. Elements of molecular quantum mechanics : Schroedinger equation, Born-Oppenheimer approximation, electronic wavefunctions, independent-particle model, molecular orbital (MO) theory, basis sets. Molecular properties: the electron density and the molecular electrostatic potential. Electron correlation and the bond dissociation problem.
Argomenti del programma: Introduction to molecular modelling : overview of problems and approaches. Elements of molecular quantum mechanics : Schroedinger equation, Born-Oppenheimer approximation, electronic wavefunctions, independent-particle model, molecular orbital (MO) theory, basis sets. Molecular properties: the electron density and the molecular electrostatic potential. Electron correlation and the bond dissociation problem.
Argomenti del programma: Introduction to molecular modelling : overview of problems and approaches. Elements of molecular quantum mechanics : Schroedinger equation, Born-Oppenheimer approximation, electronic wavefunctions, independent-particle model, molecular orbital (MO) theory, basis sets. Molecular properties: the electron density and the molecular electrostatic potential. Electron correlation and the bond dissociation problem.
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