Universidad de Jaén

Lesson 1.- Fundamentals of Quantum Mechanics (3 hours)

• Origins of Quantum Mechanics
• Operators. Eigenvalues equations.
• Hermitian operators. Commutation.
• The postulates of Quantum Mechanics.
• Superposition principle

Lesson 2.- Using Quantum Mechanics. Symple Systems (2 hours)

• The free particle in one dimension.
• The particle in a one-dimensional box.
• The particle in a two- and three-dimensional box. Degeneracy.
• Tunneling.
• Harmonic oscillator.

Lesson 3.- Angular momentum in Quantum Mechanics (3 hours)

• Angular momentum operators
• Rigid rotor
• Angular momentum coupling.
• Ladder operators. Coupled angular momentum eigenfunctions.

 Lesson 4.- Atomic structure. Hydrogen atom (3 hours)

• The hydrogen atom
• Radial function properties
• Orbital angular momentum
• Electronic spin
• States of the hydrogen atom. Hydrogenlike orbitals.

Lesson 5.- Atomic structure. Polyelectronic atoms (3 hours)

• Approximation methods in Quantum Mechanics. Variation method. Perturbation method.
• Electron configuration. Aufbau principle.
• Spin - Orbit interaction.

Lesson 6.- Electronic structure of diatomic molecules (3 hours)

• The hydrogen molecule and other homonuclear diatomic molecules. LCAO and VB methods
• Configuration interaction
• Molecular electronic terms
• Heteronuclear diatomic molecules

Lesson 7.- Electronic structure of polyatomic molecules (3 hours)

• Localized bonds
• Hybrid orbitals. Hybridization models.
• Delocalized bonds.
• Conjugated organic compounds. Hückel's method.

Lesson 8.- Interaction of electromagnetic radiation and matter (3 hours)

• Absorption and emission. Einstein's coefficients.
• Selection rules.
• Spectral line width and intensity. Lambert Beer's law
• Inelastic scattering. Raman effect

Lesson 9.- Vibrational and rotational spectroscopy of diatomic molecules (3 hours)

• Fundamentals of vibrations and rotations
• Centrifugal distortion
• Vibration-rotation coupling
• Vibrational anharmonicity. Selection rules
• Spectroscopic constants from vibrational spectra
• Analysis of microwave spectra

 Lesson 10.- Vibrational and rotational spectroscopy of polyatomic molecules (3 hours)

• Rotational spectroscopy of linear molecules
• Vibrational spectroscopy of polyatomic molecules
• Characteristic frequencies.
• Rotational states of non-linear polyatomic molecules

Lesson 11.- Electronic spectroscopy (3 hours)

• Atomic spectra. General features and selection rules
• Electronic spectra of diatomic molecules. Vibrational structure and Franck-Condon's principle
• Polyatomic molecules: chromophores and d-d transitions
• Emission spectra: Fluorescence and phosphorescence

Lesson 12.- Nuclear Magnetic Resonance (NMR) spectroscopy (3 hours)

• Nuclear spin
• Nuclear spin states. Energy
• Spin - spin coupling
• Electron Spin Resonance (ESR) spectroscopy
• External field effect: Stark and Zeeman effects

The contents of this subject connect with the SDGs:

3. Health and Wellness

Target 3.3 End communicable diseases.

Target 3.4 Reduction of non-communicable diseases and mental
health.

7 Affordable and clean energy

Target 7.2 Increase in renewable energies

The theoretical concepts will be developed using the master classes along with different tasks for 38 hours. In addition, 20 hours will be devoted to exercises in seminars. Those series of exercies will be delivered in the corresponding lists and solved in class.  Other activities could be proposed to the students. 

Students with special educational needs should contact the Student Attention Service (Servicio de Atención y Ayudas al Estudiante) in order to receive the appropriate academic support

Aspects S2 and S3 are assessed by a regular exam that includes both questions of theory and numerical exercises. It amounts to 70% (50% S2 + 20% S3) of the final marks for this subject.

The exam consists of a test type section, a short answer quetions one and a series of numerical exercises

Aspect S1 account for the remaining 30% of the final marks of the subject. Although these qualifactions will be only considered provided the exam marks amount to 4-5 points out of 10 (to be decided by the teaching staff).

 Competences assessment

S2 - written exam: B3,C4,C6,Q1,Q2.

S1,S3- written exam + other academic tasks: B3,C4,C6,Q1,Q2,Q5.

TEACHING METHODOLOGY AND TRAINING ACTIVITIES

  ASSESSMENT PROCEDURE

The assessment methodology and criteria are used in both  the ordinary I call and the extraordinary II one.

  RESOURCES

The resources to be used are those supplied by the University of Jaén for face to face teaching as well as the on-line ones: virtual platform, Google tools, etc.

TEACHING METHODOLOGY AND TRAINING ACTIVITIES

  ASSESSMENT PROCEDURE

The assessment methodology and criteria are used in both the ordinary I call and the extraordinary II one.

RESOURCES

The resources to be used are those supplied by the University of Jaén as the teaching virtual platform, Google tools, etc.

Institution in charge of data processing: Universidad de Jaén, Campus Las Lagunillas, s/n, 23071 Jaén

Data Protection Delegate: dpo@ujaen.es

Purpose: In accordance with the Universities Law and other national and regional regulations in force, carrying out exams and assessment tests corresponding to the courses students are registered in. In order to avoid frauds while sitting the exam, the exam will be answered using a videoconference system, being able the academic staff of the University of Jaén to compare and contrast the image of the person who is answering the exam with the student's photographic files. Likewise, in order to provide the exam with evidential content for revisions or claims, in accordance with current regulation frameworks, the exam will be recorded and stored.

Legitimacy: compliance with legal obligations (Universities Law) and other national and regional regulations currently in force.

Addressees: service providers who are the owners of the platforms where the exams are carried out and with whom the University of Jaén has signed the corresponding data access contracts.

Storage periods: those established in current in force regulations. In the specific case of exam videoconference recordings, not before the examination records and transcripts are closed or the exam can still be reviewed or challenged.

Rights: you can exercise your right of access, amendment, cancellation, opposition, suppression, limitation and portability by sending a letter to the postal or electronic address indicated above. In the event that you consider that your rights have been violated, you may submit a complaint to the Andalusian Council for Transparency and Data Protection www.ctpdandalucia.es

Person in charge: Universidad de Jaén, Paraje Las Lagunillas, s/n; Tel.953 212121; www.ujaen.es

Data protection delegate (DPO): TELEFÓNICA, S.A.U. ; Email: dpo@ujaen.es

Procedure aim: To manage proper recordings of teaching sessions with the aim of facilitating learning process under a multimodal and/or online teaching

Period for record storage: Images will be kept during legal term according to regulations in force

Legitimacy: Data will be managed according to legal regulations (Organic Law 6/2001, December 21, on Universities) and given consent provided by selecting corresponding box in legal admission documents

Data recipients (transfers or assignments): Any person allowed to get access to every teaching modality

Rights: You may exercise your rights of access, rectification, cancellation, portability, limitation of processing, deletion or, where appropriate, opposition. To exercise these rights, you must submit a written request to the Information, Registration and Electronic Administration Service of the University of Jaen at the address above, or by e-mail to the address above. You must specify which of these rights you are requesting to be satisfied and, at the same time, you must attach a photocopy of your ID card or equivalent identification document. In case you act through a representative, legal or voluntary, you must also provide a document that proves this representation and identification. Likewise, if you consider that your right to personal data protection has been violated, you may file a complaint with the Andalusian Data Protection and Transparency Council www.ctpdandalucia.es