Spin-dependent operators in correlated Gaussian bases.
In their textbook, Suzuki and Varga [(Springer, Berlin, 1998)] present the stochastic variational method with the correlated Gaussian basis in a very exhaustive way. The matrix elements for central potentials are expressed in an elegant form, but the elements for spin-dependent operators, when treated, are given as very cumbersome expressions. We find many formulas for those elements. Their expressions are given in terms of the same geometrical functions that appear in the case of central potentials. These functions obtain therefore a universal status; this property is very useful for numerical applications.
LPSC, Université Joseph Fourier Grenoble 1, CNRS/IN2P3, Institut National Polytechnique de Grenoble, Grenoble-Cedex, France. silvestre@lpsc.in2p3.fr
Bernard
B
Silvestre-Brac
Vincent
V
Mathieu