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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