Subject: How different <2s/X/2Px> give same 14.674 factor in Dipole Moment?

From: <[email-masked]>
Date: Mon, 11 Dec 1995 11:27:14 -0400 (EDT)

Dear Quantum Chemists :: 
While going thru the calculation of the dipole
moment..using the CNDO method..in few references we looked thru..we found
different expressions for the <2s_A|X|2px_A> and mu_X in Debyes.. 

How does one
get same value of 14.674 from these different factors involved here ? Are we
missing something in understanding these equations or are there any
typographical mistakes in these equations ?  Any help will be useful..

The General Expression is : 

mu_X (2s, 2px) = 2.* {Sum_over_A} [ P(2s_A, 2px_A) <2s_A|X|2px_A>]

A      :    Stands for nucleus
X, x   :    X-components
a_0    :    bohr radius
Zeta_A :    Orbital Exponent of atom A
Zeff_A :    2*Zeta_A

All Should give in Units of Debyes ::
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(1)   Ref: Pople & Beveridge p. 87 (Book) ::

mu_X (2s, 2px) = - 14.674 {Sum_over_A} [ P(2s_A, 2px_A) / Zeta_A ]
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(2)  Ref: Sadlej and Cooper p 147 (Book) ::

mu_X (2s, 2px) = - 14.6740 {Sum_over_A} [ P(2s_A, 2px_A) / Zeff_A ]

>>>>>>>  NOTE ::   Zeff_A = 2.* Zeta_A (as in book)

where    <2s_A|X|2px_A>  =  5 Sqrt(3) /6 Zeta_A
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(3) Ref: Ellis and Jaffe  p 72 in Book by Sega

    <2s_A|X|2px_A>  = 5 a_0 / 2 Sqrt(3 Zeta_A)
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(4) Ref: Maksic  and Bloor JPC  Vol 77 p.1520 & 1521 (1973)

    <2s_A|X|2px_A> = 5 Sqrt(3) a_0 / 3 * Zeta_A
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Thanks in Advance.
Satyam
([email-masked])