Configuration space wave functions

The wave function for the elechonic structure can in principle be any of the constructions employed in electronic structure theoiy. The prefened choice in this context is a wave funchons that can be classified as single and multi-configurational, and for the latter type only complete active space (CAS) wave... 

The adiabatic functions are characterized by two interesting features (1) they depend only on the angular coordinate (but not on the radial coordinate) and (2) they are not single valued in configuration space because when

adiabatic wave functions back to their... 

Equality between the 1, 2 wave function and the modulus of the 2, 1 wave function, v /(j2, i), shows that they have the same curve shape in space after exchange as they did before, which is necessary if their probable locations are to be the same. The phase factor orients one wave function relative to the other in the complex plane, but Eq. (9-17) is simplified by one more condition that is always true for particle exchange. When exchange is canied out twice on the same particle pair, the operation must produce the original configuration of particles... 

Mainly for considerations of space, it has seemed desirable to limit the framework of the present review to the standard methods for treating correlation effects, namely the method of superposition of configurations, the method with correlated wave functions containing rij and the method using different orbitals for different spins. Historically these methods were developed together as different branches of the same tree, and, as useful tools for actual applications, they can all be traced back to the pioneering work of Hylleraas carried out in 1928-30 in connection with his study of the ground state of the helium atom. 

---