From owner-chemistry@ccl.net Tue Feb 19 12:11:00 2019 From: "Arvydas Tamulis tamulis9\a/gmail.com" To: CCL Subject: CCL: What is power and speed of interaction between gravitational field created by molecules of our regular matter and gravitational field created by Dark Matter? Message-Id: <-53614-190219053627-10246-imhndc8VocyBX2QbEsUWlg-,-server.ccl.net> X-Original-From: Arvydas Tamulis Content-Type: multipart/alternative; boundary="000000000000cbabb505823ccf0d" Date: Tue, 19 Feb 2019 12:36:08 +0200 MIME-Version: 1.0 Sent to CCL by: Arvydas Tamulis [tamulis9- -gmail.com] --000000000000cbabb505823ccf0d Content-Type: text/plain; charset="UTF-8" Dear Colleagues, Would you please inform me what is power and speed of interaction between gravitational field created by molecules of our regular matter and gravitational field created by Dark Matter? I would be appreciate if you send me references on calculations or just evaluations. With best regards, Arvydas Tamulis ***************************************** Arvydas Tamulis Doctor of Natural Sciences, Independent expert of European Commission, New website: https://www.facebook.com/Quantum-entaglement-in-biosystems-397899027086633/timeline/ Old website: http://www.itpa.lt/~tamulis/ Address: Didlaukio str. 27-40, Vilnius LT-08320, Lithuania Emails: tamulis9- -gmail.com or arvydas_tamulis- -yahoo.com Tel. +370-69919397 --000000000000cbabb505823ccf0d Content-Type: text/html; charset="UTF-8" Content-Transfer-Encoding: quoted-printable
=09 =09 =09

Dear Colleagues,

Would you please inform me what is power and speed of interaction between gravitational field created by molecules of our regular matter and gravitational field created by Dark Matter?

I would be appreciate if you send me references on calculations or just evaluations.

With best regards,

Arvydas Tamulis

***************************= **************

Arvydas Tamulis

Doctor of Natural Sciences,

Independent expert of European Commission,

New website: https://www.facebook.com/Quantum-e= ntaglement-in-biosystems-397899027086633/timeline/

Old website: http://www.itpa.lt/~tamul= is/

Address: Didlaukio str. 27-40, Vilnius LT-08320, Lithuania

Emails: tamulis9- -gmail.com or =20 arvydas_tamulis- -yahoo.com<= /font>

Tel. +370-69919397<= /font>


--000000000000cbabb505823ccf0d-- From owner-chemistry@ccl.net Tue Feb 19 14:29:00 2019 From: "Frank Jensen frj[-]chem.au.dk" To: CCL Subject: CCL:G: MECP optimization Message-Id: <-53615-190219142818-3060-up8sq4Sww+3xLge/1mgXww[-]server.ccl.net> X-Original-From: "Frank Jensen" Date: Tue, 19 Feb 2019 14:28:15 -0500 Sent to CCL by: "Frank Jensen" [frj-#-chem.au.dk] I am looking for a quantum chemistry program capable of the following: Locating minimum energy crossing points (MECP) between states of different spin symmetry using CASSCF wave functions and with additional geometry constraints, like fixing bond distances. I in addition need access to the program code, as we will need to make some tweaks. Gamess-US can do MECP, but only in unconstrained Cartesian coordinates. Gaussian can in principle do this, but the CASSCF module is not flexible enough. > From the on-line manuals of various other program it is difficult to infer whether geometry constraints are possible in MECP optimizations. I would appreciate if anybody with experience in running MECP optimizations could point me to possible quantum chemistry programs. Frank From owner-chemistry@ccl.net Tue Feb 19 15:04:01 2019 From: "Michel Petitjean petitjean.chiral~!~gmail.com" To: CCL Subject: CCL: What is power and speed of interaction between gravitational field created by molecules of our regular matter and gravitational field created by Dark Matter? Message-Id: <-53616-190219132102-17510-abj6zFEF+vxut26RVtuBog#%#server.ccl.net> X-Original-From: Michel Petitjean Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="UTF-8" Date: Tue, 19 Feb 2019 19:20:43 +0100 MIME-Version: 1.0 Sent to CCL by: Michel Petitjean [petitjean.chiral=gmail.com] Dear Arvydas Tamulis, I see several questions in your post. 1. The speed of interacton with a gravitational field. Looking at https://en.wikipedia.org/wiki/Speed_of_gravity, it seems that it is speed light in vacuum. 2. Considering two gravitational fields, like the one of dark matter and the one of, say, the earth, I assume that their effects are additive, while I do not know how works the "interaction" between these two fields. 3. About the dark matter, I do not know how much there is, and where. My advice is that you ask your question in a physics forum. E.g., https://forum.cosmoquest.org/ https://forum.cosmoquest.org/showthread.php?163740-Dark-matter-and-gravitational-field-lines An other way to operate would that you contact experts: you can find many names via a Google search. But I am not sure that there is a clear consensus between experts of dark matter :) Good luck. Best regards, Michel Petitjean INSERM ERL U1133 (BFA, CNRS UMR 8251), University Paris 7, 35 rue Helene Brion, 75205 Paris Cedex 13, France. Phone: +331 5727 8434; Fax: +331 5727 8372 E-mail: petitjean.chiral|,|gmail.com (preferred), michel.petitjean|,|univ-paris-diderot.fr http://petitjeanmichel.free.fr/itoweb.petitjean.html Le mar. 19 févr. 2019 à 18:34, Arvydas Tamulis tamulis9a/gmail.com a écrit : > > Dear Colleagues, > Would you please inform me what is power and speed of interaction between gravitational field created by molecules of our regular matter and gravitational field created by Dark Matter? > I would be appreciate if you send me references on calculations or just evaluations. > With best regards, > Arvydas Tamulis > > ***************************************** > Arvydas Tamulis > Doctor of Natural Sciences, > Independent expert of European Commission, > New website: https://www.facebook.com/Quantum-entaglement-in-biosystems-397899027086633/timeline/ > Old website: http://www.itpa.lt/~tamulis/ > Address: Didlaukio str. 27-40, Vilnius LT-08320, Lithuania > Emails: tamulis9]![gmail.com or arvydas_tamulis]![yahoo.com > Tel. +370-69919397 > From owner-chemistry@ccl.net Tue Feb 19 16:05:00 2019 From: "Christoph Riplinger riplinger#faccts.de" To: CCL Subject: CCL:G: MECP optimization Message-Id: <-53617-190219160255-28010-w9q9MzcBXx1UPvZa2Ymr6A]~[server.ccl.net> X-Original-From: Christoph Riplinger Content-Type: multipart/signed; micalg=pgp-sha256; protocol="application/pgp-signature"; boundary="pvXoe4BgaNKemAeas1v1egbBmxr9uTiL1" Date: Tue, 19 Feb 2019 22:02:47 +0100 MIME-Version: 1.0 Sent to CCL by: Christoph Riplinger [riplinger%%faccts.de] This is an OpenPGP/MIME signed message (RFC 4880 and 3156) --pvXoe4BgaNKemAeas1v1egbBmxr9uTiL1 Content-Type: multipart/mixed; boundary="TMm59epQt0eOOFFeBBvCunM5i9b3KZghe"; protected-headers="v1" > From: Christoph Riplinger To: CCL Subscribers Message-ID: Subject: Re: CCL:G: MECP optimization References: <53615-190219142818-3060-ElUPykEMPxfmYM7Ji2Eucg]^[server.ccl.net> In-Reply-To: <53615-190219142818-3060-ElUPykEMPxfmYM7Ji2Eucg]^[server.ccl.net> --TMm59epQt0eOOFFeBBvCunM5i9b3KZghe Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: quoted-printable Content-Language: en-US Hi Frank, ORCA can do MECP optimization with all types of internal as well as Cartesian constraints, and has efficient CASSCF capabilities. Christoph On 19.02.19 20:28, Frank Jensen frj[-]chem.au.dk wrote: > Sent to CCL by: "Frank Jensen" [frj-#-chem.au.dk] > I am looking for a quantum chemistry program capable of the following: > > Locating minimum energy crossing points (MECP) between states of differ= ent=20 > spin symmetry using CASSCF wave functions and with additional geometry = > constraints, like fixing bond distances. I in addition need access to t= he=20 > program code, as we will need to make some tweaks. > > Gamess-US can do MECP, but only in unconstrained Cartesian coordinates.= > Gaussian can in principle do this, but the CASSCF module is not flexibl= e=20 > enough. > >> From the on-line manuals of various other program it is difficult to i= nfer=20 > whether geometry constraints are possible in MECP optimizations.=20 > > I would appreciate if anybody with experience in running MECP optimizat= ions=20 > could point me to possible quantum chemistry programs. > > Frank > > > > -=3D This is automatically added to each message by the mailing script = =3D- > To recover the email address of the author of the message, please chang= e> > Subscribe/Unsubscribe:=20> > Job: http://www.ccl.net/jobs=20=> > --=20 FAccTs GmbH Rolandstrasse 67, 50677 K=C3=B6ln Amtsgericht K=C3=B6ln HRB 88406 Gesch=C3=A4ftsf=C3=BChrer: Dr. Christoph Riplinger https://www.faccts.de --TMm59epQt0eOOFFeBBvCunM5i9b3KZghe-- --pvXoe4BgaNKemAeas1v1egbBmxr9uTiL1 Content-Type: application/pgp-signature; name="signature.asc" Content-Description: OpenPGP digital signature Content-Disposition: attachment; filename="signature.asc" -----BEGIN PGP SIGNATURE----- iQIzBAEBCAAdFiEE5HQhJp2y+lwHZaPV6JwhDshJ9w4FAlxsbvcACgkQ6JwhDshJ 9w7L3xAAsyJm/eeawneBxCDq3EQ653rUObp+0LVnVadhVY9sXfx4FMJx06Zbn1Db 4Cfjl9wpuJGizCPhdW8EKrvaBpxuNHcMvMfHS1p3E7VNvX8V4n5YcgiQAwt1p0l5 MFpWAEqgC/Mo1cF/fC8o2v4XYmTAitJlkH6drbF1UwzjIOL/IbOJP5EfwLAE2n1g 5Sxmy+9/vAd1cZeeiVFbH+DlvyK7tKA7ruIcqfu7lXH6ETRyL1Sxg5Pfb0wnkh2B y3GIdrWkZswShqXkhS6iLKERgKIrWpJSn1pyotJSbvlLLOdovu5Lf6CnX7To4oeH 0hzkXUHH5KbnnhNHFAhmj3IrZ/m5TiSddhoZT7EhH+cqbdiullg42jZy6b6zDbLm yvPJEmnHNFDx4+c21VFcLzWDIQ3ndBJ3RHvWG2fGOTuRgJst30Zjj+QIS1O85+nK sEM6pzlxUOO7K2Lj0gTatqzPiErkaD5auJDzfrEIY92sy75guBtSoAtbna9mMF86 DNHLDATqPXTp+Vv9k9r0G8aTjRYLFiEHQkRc5CEKBtpxZ1IuTdt+g0v1/HzyBqTG yBmgyyBkmGAJ+OiTirhvy/hNdlEx9p/pgOe3UczElFEz8mdMT8EVl0Xp/RQ/APal fZmP4wOvuavtAMXu1cS/2YIC3vsN2aPu6QluiNiLpqXDX4TPYyw= =SjxX -----END PGP SIGNATURE----- --pvXoe4BgaNKemAeas1v1egbBmxr9uTiL1-- From owner-chemistry@ccl.net Tue Feb 19 17:31:00 2019 From: "Hans Lischka hans.lischka[-]univie.ac.at" To: CCL Subject: CCL:G: MECP optimization Message-Id: <-53618-190219172950-30827-xwMcvbc3ko8VbWvc/WvZtQ*o*server.ccl.net> X-Original-From: Hans Lischka Content-Language: en-US Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=utf-8; format=flowed Date: Tue, 19 Feb 2019 23:29:42 +0100 MIME-Version: 1.0 Sent to CCL by: Hans Lischka [hans.lischka###univie.ac.at] Hi Frank, you can use COLUMBUS (https://www.univie.ac.at/columbus/), it performs the MECP calculations in Pulay coordinates and you can freeze them in a simple way. You even can do MRCI MECP calculations, depending on the size of the compounds. The source code is available. Best, Hans On 2/19/2019 8:28 PM, Frank Jensen frj[-]chem.au.dk wrote: > Sent to CCL by: "Frank Jensen" [frj-#-chem.au.dk] > I am looking for a quantum chemistry program capable of the following: > > Locating minimum energy crossing points (MECP) between states of different > spin symmetry using CASSCF wave functions and with additional geometry > constraints, like fixing bond distances. I in addition need access to the > program code, as we will need to make some tweaks. > > Gamess-US can do MECP, but only in unconstrained Cartesian coordinates. > Gaussian can in principle do this, but the CASSCF module is not flexible > enough. > >> From the on-line manuals of various other program it is difficult to infer > whether geometry constraints are possible in MECP optimizations. > > I would appreciate if anybody with experience in running MECP optimizations > could point me to possible quantum chemistry programs. > > Frank> >