INTERNATIONAL CONFERENCE

Rationale

Gaussian basis sets are  linear combinations of localized functions used to describe the electronic wavefunction within the Hartee-Fock or Density Functional Theory framework, of molecules and/or finite systems. Such wavefunctions are approximate solutions to the Schrödinger equation to describe molecular or crystalline orbitals. Several types of localized atomic orbitals exist, however, the Gaussian-type orbitals are by far the most commonly employed, as the computation of the integrals of gaussian functions is greatly simplified. This workshop aims to provide the opportunity for researchers to share their studies and experiences in several Quantum Chemistry topics where GTO basis sets are commonly employed.

Scientific Topics

The meeting program covers several fundamental topics in the field employing different theoretical methodologies which are best fitted for the properties to be probed and are implemented in software packages:

• Adsorption phenomena
• Supramolecular chemistry
• Reaction mechanisms
• Linear and non-linear optical and optoelectronic properties
• Time dependent processes
• Biological/Biochemical systems
• New methodologies