Subject: Configuration Mixing

From: [email-masked]
Date: 25 Mar 94 15:03:25 EST (Fri)

Dear Netters,

	I am intererested in calculating the contribution of various
configurations such as (D(+)A(-)), D(*)A, (D(-)A(+)) etc. for a
metathetic reaction B---H + B-----> B---H---B ---> B + H---B and
H----B----H reactions where [D=(H-B) and A=H or B] in VALENCE BOND
mode.  Does anyone have a program to calculate the energies and wave
functions in the valence bond mode for the above mentioned configurations?
I need to know the contributions of various configurations in a 
metathetic reaction. 
	Thanks in advance and mail your answers to the following
e-mail address.

		[email-masked]

							Sridhar.

V. Sreedhara RAo
Department of I.P.C 
Indian Institute of Science,
BANGALORE - 560 012. INDIA