És recomanable tenir les competències bàsiques per llegir textos en anglès, donat que es podrà fer servir material en aquesta llengua.
També és recomanable tenir un mínim coneixement de programació, donat que algunes de les aplicacions podran referir-se a desenvolupar aplicacions informàtiques.
Bibliografia bàsica:
Szabo A. i Ostlund N.S. (1989) "Modern Quantum Chemistry", 2nd Edition, McGraw-Hill, Nova York
Levine I.N. (1977) "Química Cuántica", AC, Madrid
Levine I.N. (1991) "Quantum Chemistry", 4th edition, Englewood Cliffs Eds., Prentice Hall, Nova York
McQuarrie D.A. (1983) "Quantum Chemistry", Oxford University Press
Atkins P.W. (1989) "Molecular Quantum Mechanics" (4th ed.), Oxford University Press, Nova York
Pilar F.L. (1990) "Elementary Quantum Chemistry", McGraw Hill, New York
Messiah A. (1975) "Mecánica Cuántica", ( 2 Vols. ), Ed. Tecnos, Madrid
McWeeny R. i Sutcliffe B.T. (1976) "Methods of Molecular Quantum Mechanics", Academic Press, Nova York
Carbó R. i Hernández J.A. (1976) "Introducción a la teoría de matrices", Alhambra, Madrid
Carbó R. i Riera A. (1978) "A General SCF Theory", Lecture Notes in Chemistry, Springer-Verlag, Berlin
Jorgensen P. i Simons J. (1981) "Second Quantization-Based Methods in Quantum Chemistry", Academic Press, Nova York
Fraga S. (editor) (1987) "Química Teórica" (3 vols), Colección Nuevas Tendencias, CSIC, Madrid
Schaefer H.F. (1972) "The Electronic Structure of Atoms and Molecules", Addison-Wesley, Reading
Schug J.C. (1972) "Introductory Quantum Chemistry", Holt, Rinehart and Winstron, Inc., Nova York
Moss R.E. (1973) "Advanced Molecular Quantum Mechanics", Chapman and Hall, Londres
Quinn C.M. (1973) "An Introduction to the Quantum Chemistry of Solids", Clarendon Press, Oxford
Cook D.B. (1974) "ab initio Valence Calculations in Chemistry", Butterworths
Hurley A.C. (1976) "Introduction to the Electron Theory of Small Molecules", Academic Press, Londres
Steiner E. (1976) "The Determination and Interpretation of Molecular Wave", Cambridge University Press, Londres
Mahanty J. i Ninham B.W. (1976) "Dispersion Forces", Academic Press, Londres
Levin A.A. (1977) "Solid State Quantum Chemistry", McGraw Hill, Nova York
Goodisman J. (1977) "Contemporary Quantum Chemistry", Plenum Press, Nova York
Segal G.A. (1977) "Semiempirical Methods of Electronic Structure Calculation" (2 parts), Plenum Press, Nova York
Cotton F.A. (1971) "Chemical Applications of Group Theory", 2nd ed., Wiley, Nova York (Hi ha una versió castellana: Limusa, Mèxic, 1977)
Schaefer H.F. (editor) (1977) "Applications of electronic structure theory", Plenum Press, Nova York
Schaefer H.F. (editor) (1977) "Methods of electronic structure calculations", Plenum Press, Nova York
Lowe J.P. (1978) "Quantum Chemistry", Academic Press, Nova York
Weissbluth M. (1978) "Atoms and Molecules", Academic Press, Nova York
Yates K. (1978) "Hückel Molecular Orbital Theory", Academic Press, Nova York
Kihara T. (1978) "Intermolecular Forces", Wiley, Nova York
Galindo A. i Pascual P. (1978) "Mecánica Cuántica", Ed. Alhambra, Madrid
Eisberg R. i Resnick R. (1979) "Física Cuántica", Limusa, Mèxic
Cohen-Tannoudji C. i Diu B. (1980) "Mécanique Quantique" (2 vols., 2a ed.) Hermann, París
Carsky P. i Urban M. (1980) "Ab initio calculations, methods and applications in chemistry". Lecture Notes in Chemistry, Vol. 15, Springer-Verlag, Berlín
Minkine V., Sinkine B. i Minieav R. (1982) "Théorie de la Structure Moleculaire", Mir, Moscou
Daudel R., Leroy G., Peeters D. i Sana M. (1983) "Quantum Chemistry", Willey, Chichester
Hout R.F. (1984) "Pictorical approach to molecular structure and reactivity", Wiley, Nova York
Dirac P.A.M. (1958) "The principles of quantum mechanics", Claredon Press, Oxford, 4th ed., reimpresa el 1984
Albright T.A., Burdett J.K. i Whangbo M-H (1985) "Orbital Interactions in Chemistry", John Wiley & Sons, Nova York
Clark T. (1985) "A handbook of computational chemistry", Wiley-Interscience, Nova York
Kaplan I.G. (1986) "Theory of molecular interactions", Elsevier, Amsterdam
Matthews P.S.C. (1986) "Quantum Chemistry of Atoms and Molecules", Cambridge University Press, Cambridge
Matsen F.A. i Pauncz R. (1986) "The unitary group in quantum chemistry", Studies in Physical and theoretical chemistry, Vol. 44, Elsevier, Amsterdam
Lawley K.P. (editor) (1987) "Ab initio methods in quantum chemistry. Parts I and II". Wiley Interscience, Chichester
Salem L. (1987) "Marvels of the Molecule", VCH Publishers, Nova York
Hinchliffe A. (1988) "Computational Quantum Chemistry", John Wiley & sons, Chichester
McWeeny R. (1989) "Methods of Molecular Quantum Mechanics" (2ond ed.), Academic Press, Nova York
Christoffersen R.E. (1989) "Basic principles and techniques of molecular quantum mechanics", Springer Verlag, Nova York
Parr R.G. i Yang W. (1989) "Density-Functional Theory of Atoms and Molecules", Oxford Univ. Press, Nova York
Rivail J.L. (1989) "Eléments de Chimie à l'usage des Chimistes", InterEditions / Editions du CNRS, París
Surjan P. (1989) "Second quantized approach to quantum chemistry - an elementary introduction", Springer-Verlag, Berlin
Kryacho E.S. i Ludeña E.V. (1990) "Energy density functional theory of many-electron systems", Kluwer, Dordrecht
Webster B. (1990) "Chemical Bonding Theory", Blackwell Scientific Publications, Oxford