From: AKINAGA Yoshinobu <[email-masked]>
Date: Tue, 01 Sep 1998 19:19:32 +0900

Dear sirs,

I'm interested in the calculation of an impurity embedded in the 
solid or the electron gas, employing both the local gaussian 
type basis functions and non-local plane-wave basis functions. 
I want to know how to evaluate the matrix elements of the one-electron 
nuclear-repulsion operator between the gaussian function and the 
plane-wave such as <exp(-z|r-R_p|^2)|Z_a/r_a|exp(ikr)>, 
where R_p, r_a, and r indicates the center of the gaussian, 
electron-nuclear distance, and position vector of the electron 
originating from arbitrary origin (which is generally different 
>from R_p or R_a), as well as the two-electron exchange integral
between the gaussian and the plane-wave such as 

int(dr1dr2) phi_a(r1)exp(-ik_ir1) r12^(-1) phi_b(r2)exp(ik_jr2)

where "phi" means gaussian basis function, a or b is index of 
phi, and i or j is index of plane-wave (wave vector). 
Any references are wellcome, and all replies will be summerized. 
Thanks in advance. 

                                     best regards, 

Yoshinobu Akinaga
Department of Applied Chemistry, Graduate School of Engineering,
University of Tokyo,
Tokyo 113, Japan
tel : 03-3812-2111(7243),  
E-mail : [email-masked]