From owner-chemistry@ccl.net Thu Dec 18 10:40:00 2025 From: "Brian Bunker brian.d.bunker||gmail.com" To: CCL Subject: CCL: Attempting to locate the A+BC algorithm from QCPE (1975) Message-Id: <-55436-251218103521-16736-lDls7mi3bYSeIK4EXavV2A%a%server.ccl.net> X-Original-From: Brian Bunker Content-Type: multipart/alternative; boundary="000000000000f4d2fe06463bb4c0" Date: Thu, 18 Dec 2025 09:35:00 -0600 MIME-Version: 1.0 Sent to CCL by: Brian Bunker [brian.d.bunker===gmail.com] --000000000000f4d2fe06463bb4c0 Content-Type: text/plain; charset="UTF-8" Content-Transfer-Encoding: quoted-printable Thank you everyone for your interest and helpful replies! While it might be hard to find the original code, you have already supplied some promising leads. Reading the thesis sent by Christian Bologa and commented on by Alejandro Pisanty, I see references to later programs by Bill Hase, whom I knew when he was in my dad's research group. Unfortunately he passed away in 2020, but I may be able to connect with his colleagues/students. Even if I can't track down A+BC, I might be able to find Hase's code, which is probably very related. Alejandro, thanks for the very interesting color around QCPE, it's fascinating to hear about those times. I worked with my share of aging physical media myself for my physics thesis, trying to safely recover data > from old 'magtapes'. I'll follow the lead to try to contact Professor Para. It's a good idea to look for descendant code from A+BC that might have subsumed it, but still works with the same ideas. Separately, I heard from a professor who supplied a paper with a detailed lineage of many of the programs related to A+BC, and will explore that. I will definitely contact Indiana University to see if they have archives. I'll report back to this thread with any discoveries from my search! Best, Brian On Wed, Dec 17, 2025 at 6:28=E2=80=AFPM Cristian Bologa CBologa*o*salud.unm= .edu < owner-chemistry .. ccl.net> wrote: > Hi Brian, > > This thesis from 2010 mentions the program and other ones from QCPE at th= e > beginning of chapter 5. It might be worth trying to contact the author. > > https://www.ehu.eus/sgi/ARCHIVOS/tesis_carlos.pdf > > Otherwise, the IU library archives might still have it. > > Good luck, > Cristian > > Cristian Bologa, Ph.D. > Research Professor, > Div. of Translational Informatics, > Dept. of Internal Medicine, > Univ. of New Mexico, School of Medicine, > Innovation Discovery&Training Center, MSC09 5025, > 700 Camino de Salud NE, Albuquerque, NM 87131 > Phone: +1 (505) 925-7534 > > > ------------------------------ > *From:* owner-chemistry+cbologa=3D=3Dsalud.unm.edu#%#ccl.net > on behalf of Brian > Douglas Bunker brian.d.bunker a gmail.com > *Sent:* Tuesday, December 16, 2025 8:20 PM > *To:* Cristian Bologa > *Subject:* CCL: Attempting to locate the A+BC algorithm from QCPE (1975) > > > [[-- External - this message has been sent from outside the University --= ]] > > > Sent to CCL by: "Brian Douglas Bunker" [brian.d.bunker^^ > https://urldefense.com/v3/__http://gmail.com__;!!KXH1hvEXyw!cR_3z1FvHm9eW= Mvs6Kp4z8dns3NOqvP6BChm4xbdrvI9YGHa-3Oqs5MUqDCxFYsaLXJjoOP8WH35Dc6ws6t1eUDW= oTvj$ > ] > Hello, > > Im looking for any information about a program that was part of the Quant= um > Chemistry Program Exchange in the 1970s (submitted around 1975): > > S. Chapman, D. L. Bunker, A. Gelb, QCPE Program No. 273, Indiana > University, > Bloomington > > The program was known as 'A + BC'. > > For context, Im the son of one of the authors (Don Bunker) and would very > much > like to locate, revive, and run this code. From what I understand, it was > used > by a number of groups for semiclassical trajectory calculations in that > era. > > Im not a chemist by training, but I have a background in high-energy > physics > and computational physics, so Im hopeful that I can reconstruct and > preserve > the program for my family records. > > This is a personal project, and I would be grateful for any suggestions, > leads, > or contacts that might help me track down QCPE Program 273 or any survivi= ng > documentation. > > Many thanks, > > Brian Bunker > brian.d.bunker~!~ > https://urldefense.com/v3/__http://gmail.com__;!!KXH1hvEXyw!cR_3z1FvHm9eW= Mvs6Kp4z8dns3NOqvP6BChm4xbdrvI9YGHa-3Oqs5MUqDCxFYsaLXJjoOP8WH35Dc6ws6t1eUDW= oTvj$ > (720) 352-8514 > 1130 Raleigh Road > Glenview, IL 60025 > > > > -=3D This is automatically added to each message by the mailing script = =3D- > > https://urldefense.com/v3/__http://www.ccl.net/cgi-bin/ccl/send_ccl_messa= ge__;!!KXH1hvEXyw!cR_3z1FvHm9eWMvs6Kp4z8dns3NOqvP6BChm4xbdrvI9YGHa-3Oqs5MUq= DCxFYsaLXJjoOP8WH35Dc6ws6t1eWK9jnyn$ > > https://urldefense.com/v3/__http://www.ccl.net/cgi-bin/ccl/send_ccl_messa= ge__;!!KXH1hvEXyw!cR_3z1FvHm9eWMvs6Kp4z8dns3NOqvP6BChm4xbdrvI9YGHa-3Oqs5MUq= DCxFYsaLXJjoOP8WH35Dc6ws6t1eWK9jnyn$> > https://urldefense.com/v3/__http://www.ccl.net/chemistry/sub_unsub.shtml_= _;!!KXH1hvEXyw!cR_3z1FvHm9eWMvs6Kp4z8dns3NOqvP6BChm4xbdrvI9YGHa-3Oqs5MUqDCx= FYsaLXJjoOP8WH35Dc6ws6t1eUbyCFNg$ > > Before posting, check wait time at: > https://urldefense.com/v3/__http://www.ccl.net__;!!KXH1hvEXyw!cR_3z1FvHm9= eWMvs6Kp4z8dns3NOqvP6BChm4xbdrvI9YGHa-3Oqs5MUqDCxFYsaLXJjoOP8WH35Dc6ws6t1eQ= irsO-e$ > > Job: > https://urldefense.com/v3/__http://www.ccl.net/jobs__;!!KXH1hvEXyw!cR_3z1= FvHm9eWMvs6Kp4z8dns3NOqvP6BChm4xbdrvI9YGHa-3Oqs5MUqDCxFYsaLXJjoOP8WH35Dc6ws= 6t1eeZ7xqIK$ > > Conferences: > https://urldefense.com/v3/__http://server.ccl.net/chemistry/announcements= /conferences/__;!!KXH1hvEXyw!cR_3z1FvHm9eWMvs6Kp4z8dns3NOqvP6BChm4xbdrvI9YG= Ha-3Oqs5MUqDCxFYsaLXJjoOP8WH35Dc6ws6t1eWQ1UTL3$ > > Search Messages: > https://urldefense.com/v3/__http://www.ccl.net/chemistry/searchccl/index.= shtml__;!!KXH1hvEXyw!cR_3z1FvHm9eWMvs6Kp4z8dns3NOqvP6BChm4xbdrvI9YGHa-3Oqs5= MUqDCxFYsaLXJjoOP8WH35Dc6ws6t1eQ6NYh2R$ > > https://urldefense.com/v3/__http://www.ccl.net/spammers.txt__;!!KXH1hvEXy= w!cR_3z1FvHm9eWMvs6Kp4z8dns3NOqvP6BChm4xbdrvI9YGHa-3Oqs5MUqDCxFYsaLXJjoOP8W= H35Dc6ws6t1eamS2myy$ > > RTFI: > https://urldefense.com/v3/__http://www.ccl.net/chemistry/aboutccl/instruc= tions/__;!!KXH1hvEXyw!cR_3z1FvHm9eWMvs6Kp4z8dns3NOqvP6BChm4xbdrvI9YGHa-3Oqs= 5MUqDCxFYsaLXJjoOP8WH35Dc6ws6t1ee5Jz-PK$ > > > --000000000000f4d2fe06463bb4c0 Content-Type: text/html; charset="UTF-8" Content-Transfer-Encoding: quoted-printable
Thank you everyone for your interest and helpful replies! = While it might be hard to find the original code, you have already supplied= some promising leads.

Reading the thesis sent by Christian Bologa a= nd commented on by Alejandro Pisanty, I see references to later programs by= Bill Hase, whom I knew when he was in my dad's research group. Unfortu= nately he passed away in 2020, but I may be able to connect with his collea= gues/students. Even if I can't track down A+BC, I might be able to find= Hase's code, which is probably very related.

Alejandro, thanks = for the very interesting color around QCPE, it's fascinating to=C2=A0he= ar about those times. I worked with my share of aging physical media myself= for my=C2=A0physics thesis, trying to safely recover data from old 'ma= gtapes'. I'll follow the lead to try to contact Professor Para. It&= #39;s a good idea to look for descendant=C2=A0code from A+BC that might hav= e subsumed it, but still works with the same ideas.

=C2=A0Separately= , I heard from a professor who supplied a paper with a detailed=C2=A0lineag= e of many of the programs related to A+BC, and will explore that.

I = will definitely contact Indiana University to see if they have archives.
I'll report back to this thread with any discoveries from my=C2=A0= search!

Best, Brian

On Wed, Dec 17, 2025 at 6:28=E2=80=AFPM Cristian = Bologa CBologa*o*salud.u= nm.edu <owner-chemistry .. ccl.net> wrote:
Hi Brian,

This thesis from 2010 mentions the program and other ones from QCPE at the = beginning of chapter 5. It might be worth trying to contact the author.

https://www.ehu.eus/sgi/ARCHIVOS/tesis_carlos.pdf<= br>
Otherwise, the IU library archives might still have it.

Good luck,
Cristian

Cristian Bologa, Ph.D.
Research Professor,
Div. of Translational Informatics,
Dept. of Internal Medicine,
Univ. of New Mexico, School of Medicine,
Innovation Discovery&Training Center, MSC09 5025,
700 Camino de Salud NE, Albuquerque, NM 87131
Phone: +1 (505) 925-7534


From:=C2=A0owner-chemistry+cbologa=3D=3Dsalud.unm.edu#%#ccl.net <owner-chem= istry+cbologa=3D=3Dsalud.unm.edu#%#ccl.net> on behalf of Brian Douglas Bunker bria= n.d.bunker a gmail.com &= lt;owner-chemistry#%#ccl.net>
Sent:=C2=A0Tuesday, December 16, 2025 8:20 PM
To:=C2=A0Cristian Bologa <CBologa#%#salud.unm.edu>
Subject:=C2=A0CCL: Attempting to locate the A+BC algorithm from QCPE= (1975)
=C2=A0

[[-- External - this message has been sent from outside the University --]]=


Sent to CCL by: "Brian Douglas Bunker" [brian.d.bunker^^https://urldefense.com/v3/__http://gmail.com__;!= !KXH1hvEXyw!cR_3z1FvHm9eWMvs6Kp4z8dns3NOqvP6BChm4xbdrvI9YGHa-3Oqs5MUqDCxFYs= aLXJjoOP8WH35Dc6ws6t1eUDWoTvj$ ]
Hello,

Im looking for any information about a program that was part of the Quantum=
Chemistry Program Exchange in the 1970s (submitted around 1975):

S. Chapman, D. L. Bunker, A. Gelb, QCPE Program No. 273, Indiana University= ,
Bloomington

The program was known as 'A + BC'.

For context, Im the son of one of the authors (Don Bunker) and would very m= uch
like to locate, revive, and run this code. From what I understand, it was u= sed
by a number of groups for semiclassical trajectory calculations in that era= .

Im not a chemist by training, but I have a background in high-energy physic= s
and computational physics, so Im hopeful that I can reconstruct and preserv= e
the program for my family records.

This is a personal project, and I would be grateful for any suggestions, le= ads,
or contacts that might help me track down QCPE Program 273 or any surviving=
documentation.

Many thanks,

Brian Bunker
brian.d.bunker~!~https://urldefense.com/v= 3/__http://gmail.com__;!!KXH1hvEXyw!cR_3z1FvHm9eWMvs6Kp4z8dns3NOqvP6BChm4xb= drvI9YGHa-3Oqs5MUqDCxFYsaLXJjoOP8WH35Dc6ws6t1eUDWoTvj$
(720) 352-8514
1130 Raleigh Road
Glenview, IL 60025



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