QUANTUM CHEMISTRY

This course is one of the core educational activities in the Master's degree in Sustainable Chemistry and Technology,
that describes some of the common approaches of quantum mechanics to the fundamental
understanding of chemical systems. The microscopic (or molecular) perspective
builds on atomic and molecular models to predict
macroscopically observable properties will be studied. In particular, we will discuss two main
themes during this course including quantum mechanics and spectroscopy.
Learning objectives involve developing an understanding
of quantum mechanical principles, and applying these principles to master the
underlying concepts of electronic structure for atoms, molecules and nanostructures.

The student active participation and attendance at classes (theoretical lessons and practical activities) together with independent study, will allow to reach the following abilities of learning and comprehension:
1. to learn the main mathematical methods used in quantum mechanics;
2. To learn the standard methods to study molecular and nano-structured systems;
Linking material learned in
class to modern physical chemistry techniques and research will be highlighted to
give you opportunities to see how Physical Chemists are solving current, real-world problems.

This is a math-intensive course, and it is expected that students have previous
experience with calculus. In addition, students should be familiar with the concepts learned in calculus-based physics. We will review some mathematical principles along the way
so that students can focus on learning the physical chemistry material.

ONE-ELECTRON ATOMS
Development of the Schroedinger Equation
Separation of the Time-Independent Equation
Solution of the Equations
Eigenvalues, Quantum Numbers, and Degeneracy
Eigenfunctions
Probability Densities
Orbital Angular Momentum
Eigenvalue Equations
MAGNETIC DIPOLE MOMENTS, SPIN, AND TRANSITION RATES
Orbital Magnetic Dipole Moments
The Stern-Gerlach Experiment and Electron Spin
The Spin-Orbit Interaction
Total Angular Momentum
Spin-Orbit Interaction Energy and the Hydrogen Energy Levels
Transition Rates and Selection Rules
A Comparison of the Modern and Old Quantum Theories
MULTIELECTRON ATOMS—GROUND STATES AND X-RAY EXCITATIONS
Identical Particles
The Exclusion Principle
Exchange Forces and the Helium Atom
The Hartree Theory
Results of the Hartree Theory
Ground States of Multielectron Atoms and the Periodic Table
X-Ray Line Spectra
MULTIELECTRON ATOMS—OPTICAL EXCITATIONS
Alkali Atoms
Atoms with Several Optically Active Electrons
LS Coupling
Energy Levels of the Carbon Atom
The Zeeman Effect
QUANTUM STATISTICS
Indistinguishability and Quantum Statistics
The Quantum Distribution Functions
Comparison of the Distribution Functions
The Specific Heat of a Crystalline Solid
The Boltzmann Distributions as an Approximation to Quantum Distributions
The Laser
The Photon Gas
The Phonon Gas
Bose Condensation and Liquid Helium
The Free Electron Gas
Contact Potential and Thermionic Emission
Classical and Quantum Descriptions of the State of a System
MOLECULES
Ionic Bonds
Covalent Bonds
Molecular Spectra
Rotational Spectra
Vibration-Rotation Spectra
Electronic Spectra
The Raman Effect
Determination of Nuclear Spin and Symmetry Character
SOLIDS—CONDUCTORS AND SEMICONDUCTORS
Types of Solids
Band Theory of Solids
Electrical Conduction in Metals
The Quantum Free-Electron Model
The Motion of Electrons in a Periodic Lattice
Semiconductors
Semiconductor Devices
SOLIDS—SUPERCONDUCTORS AND MAGNETIC PROPERTIES
Superconductivity
Magnetic Properties of Solids
Paramagnetism
Ferromagnetism
Antiferromagnetism and Ferrimagnetism

R. Eisberg, R. Resnick, Quantum Physics of Atoms, Molecules, Solids, Nuclei, and Particles Second Edition, John Wiley & Sons.
D. Griffith, Introduction to Quantum Mechanics, Cambridge University Press.
L. Pauling,E. Bright Wilson, Introduction to Quantum Mechanics with Applications to Chemistry, Dover Edition.
W. Ashcroft Neil, D. Mermin, Solid State Physics, Thomson Press.

Problem Sets (14%) – 15 points each
There is no better way to master Physical Chemistry than by solving problems. The
essence of this subject demands connecting abstract mathematical ideas with the
experimentally observed behaviour of chemical systems. Therefore, eight (8)
problem sets will be posted on Blackboard due in class on the specified date. Late
work will not be accepted. Working together in study groups of 3-4 students is
encouraged as a helpful and enjoyable way to overcome conceptual obstacles and
share the satisfaction of gained understanding. In reality, at the heart of good
science is collaboration, so work together with your colleagues to solve problems.
Groups will turn in a single, shared document bearing the names and signatures of
all participants. By signing, you agree that you are seeking shared and equal credit
for the assignment. Problem sets will be graded for completion and accuracy, and
solutions made available on Blackboard.
Midterm Exams (61%) – 200 points each
There will be four (4) in-class midterm exams given during the semester, each
worth 20% of the course point total. Midterm tentative exam
coverage are as follows:
Midterm Exam 1 Multi electron atoms and the periodic table
Midterm Exam 2 Quantum Statistics
Midterm Exam 3 Molecules
Midterm Exam 4 Solids
The lowest midterm exam score will be dropped, leaving 3 midterm exams in total
that comprise 61% of the total course points.
Final Exam (25%) – 250 points
A comprehensive, final exam will be given during the examination session.

face to face lessons (using Blackboard )

Italian

Accessibility, Disability and Inclusion

Accommodation and support services for students with disabilities and students with specific learning impairments:
Ca’ Foscari abides by Italian Law (Law 17/1999; Law 170/2010) regarding supportservices and accommodation available to students with disabilities. This includes students with mobility, visual, hearing and other disabilities (Law 17/1999), and specific learning impairments (Law 170/2010). In the case of disability or impairment that requires accommodations (i.e., alternate testing, readers, note takers or interpreters) please contact the Disability and Accessibility Offices in Student Services: disabilita@unive.it.

written and oral

This subject deals with topics related to the macro-area "Climate change and energy" and contributes to the achievement of one or more goals of U. N. Agenda for Sustainable Development