Title of article :
The fitting of potential energy surfaces using neural networks. Application to the study of the photodissociation processes
Author/Authors :
Prudente، نويسنده , , Frederico V. and Soares Neto، نويسنده , , J.J.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1998
Abstract :
A back-propagation neural network is utilized to fit potential energy surfaces and the transition dipole moment of the HCl+ ion, using the ab initio electronic energies calculated by Pradhan, Kirby and Dalgarno. These surfaces are used in the study of the photodissociation process. The photodissociation cross section is calculated utilizing the equally spaced discrete variable representation and the negative imaginary potential method.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters