Advances in Chemical Physics, New Methods in Computational Quantum Mechanics by I. Prigogine
English | Apr. 25, 1996 | ISBN: 0471143219 | 817 Pages | PDF | 37 MB
The use of quantum chemistry for the quantitative prediction of molecular properties has long been frustrated by the technical difficulty of carrying out the needed computations. In the last decade there have been substantial advances in the formalism and computer hardware needed to carry out accurate calculations of molecular properties efficiently.