<![CDATA[Multiwfn forum / SAPT components]]> //www.umsyar.com/wfnbbs/viewtopic.php?id=1462 The most recent posts in SAPT components. Wed, 10 Jul 2024 06:04:31 +0000 FluxBB <![CDATA[Re: SAPT components]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=4383#p4383

It is correct.

dummy@example.com (sobereva) Wed, 10 Jul 2024 06:04:31 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=4383#p4383
<![CDATA[SAPT components]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=4377#p4377

Dear Tian,

I would be highly grateful if, as always, you kindly guide me and let me know that the below equalizations are correct.
The equation in the left hand has been taken from a publication while the equation given in the right hand is based on my understanding and is taken from a SAPT calculation output. Indeed, I very respectfully ask you to make me ensure that any equation in left has been truly substituted by the equation in right.

In advance, too many thanks for your highly kind attention, valuable time, and energy and, please excuse me for bothering you.

1) E^(1)_elst= Elst10,r
2) E^(1)_exch= Exch10
3) E^(2)_ind+E^(2)_exch-Ind+delta_HF= Ind20,r+Exch-Ind20,r+delta HF,r (2)
4) E^(2)_disp+E^(2)_exch-disp= Disp20+Exch-Disp20


Sincerely,
Saeed

dummy@example.com (saeed_E) Tue, 09 Jul 2024 23:51:10 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=4377#p4377
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