Configuration Mixing

From: ipcakc (- at -) vigyan.iisc.ernet.in
Subject: Configuration Mixing
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.
 		ipcakc (- at -) ipc.iisc.ernet.in
 							Sridhar.
 V. Sreedhara RAo
 Department of I.P.C
 Indian Institute of Science,
 BANGALORE - 560 012. INDIA