tag:blogger.com,1999:blog-5439168179960787195.post7118003111141323460..comments2024-03-28T17:13:01.117+10:00Comments on Condensed concepts: Tutorial on effective Hamiltonians for quantum dynamics in functional molecular materialsRoss H. McKenziehttp://www.blogger.com/profile/09950455939572097456noreply@blogger.comBlogger5125tag:blogger.com,1999:blog-5439168179960787195.post-36470902084151355942013-10-09T05:07:54.560+10:002013-10-09T05:07:54.560+10:00So any intermolecular interaction is added in an a...So any intermolecular interaction is added in an additional term in the Hamiltonian? Maxhttps://www.blogger.com/profile/10404077569598187158noreply@blogger.comtag:blogger.com,1999:blog-5439168179960787195.post-42805711086092367522013-10-09T04:24:24.132+10:002013-10-09T04:24:24.132+10:00Good point. Sorry!
I have now included it.Good point. Sorry!<br />I have now included it.Ross H. McKenziehttps://www.blogger.com/profile/09950455939572097456noreply@blogger.comtag:blogger.com,1999:blog-5439168179960787195.post-88040780422894313872013-10-09T04:23:59.327+10:002013-10-09T04:23:59.327+10:00My experience is that this is very general. Change...My experience is that this is very general. Changes in molecular structure will change the number of diabatic states needed and the parameters. But, my claim this is a very general form.Ross H. McKenziehttps://www.blogger.com/profile/09950455939572097456noreply@blogger.comtag:blogger.com,1999:blog-5439168179960787195.post-92214251640177733852013-10-08T12:50:58.169+10:002013-10-08T12:50:58.169+10:00I'd also like to see the Hamiltonian.I'd also like to see the Hamiltonian.Tonyhttps://www.blogger.com/profile/08582644751812812675noreply@blogger.comtag:blogger.com,1999:blog-5439168179960787195.post-1823832996975645042013-10-07T19:27:32.292+10:002013-10-07T19:27:32.292+10:00I'm wondering how general such a Hamiltonian c...I'm wondering how general such a Hamiltonian can be, when so much depend on the molecular structure and shape of the involved molecular orbitals.Maxhttps://www.blogger.com/profile/10404077569598187158noreply@blogger.com