Book of Donmon Teith

In this Festschrift dedicated to the late Isaiah Shavitt (1925-2012) , selected researchers in theoretical chemistry present research highlights on major develo

These two volumes deal with the quantum theory of the electronic structure of molecules. Implicit in the term ab initio is the notion that approximate solutions

The development and computational implementation of analytical expres sions for the low-order derivatives of electronic energy surfaces and other molecular prop

Computer Science and Scientific Computing contains the proceedings of the Third ICASE Conference on Scientific Computing held in Williamsburg, Virginia, on Apri