Subject: matrix elements with GTO and PW

From: AKINAGA Yoshinobu <[email-masked]>
Date: Wed, 02 Sep 1998 16:45:46 +0900

Dear Sirs, 

I am interested in the calculation of an impurity embedded in a 
solid or an elecron gas, employing both gaussian type functions (GTO) 
and plane-wave (PW) basis functions. 
I want to know how to evaluate the matrix elements of one-electron 
integral of nuclear-repulsion between the gaussian and the plane-wave 
such as 

      <phi_p(r)|Z_a/r_a|exp(ikr)>, 

as well as two-electron integrals, for example, the integral 
between the gaussian functions and the plane-waves such as

    int(dr1dr2) phi_a(r1)exp(ik_i r1)r12^(-1)exp(-k_j r2)phi_b(r2), 

where "phi_a" means a primitive gaussian function whose index is a, 
and "k_i" means wave vector whose index is i. 
Any references is welcome. All responses sill 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]
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