| Shuanglong Liu | Poster | Density functional theory calculations of single-molecule magnets Co3(SALPN)2(O2CCH3)2.R2 | Abstract.pdf | shlufl@ufl.edu | shlufl@ufl.edu |
| Eite, Tiesinga | Oral | Relativistic Quantum Chemistry with Heavy Magnetic Lanthanide Molecules | abstract1.pdf | eite.tiesinga@nist.gov | eite.tiesinga@nist.gov |
| Pavel Pokhilko | Oral | Two-particle properties from one-particle Green's functions: interpretation of electronic structure and application to single-molecule magnets | abstract2.pdf | pokhilko@umich.edu | pokhilko@umich.edu |
| R H Duncan Lyngdoh | Oral | Metal-metal bond lengths and bond orders in homobinuclear complexes of the first row metals scandium to zinc: A DFT exploration | Abstract-Richard-Duncan-India.pdf | rhdl@nehu.ac.in | rhdl@nehu.ac.in |
| Paul S Bagus | Invited | Extracting Chemistry From X-Ray Photoemission Spectroscopy: Orbitals, Multiplets, and More | Sanibel_Clementi_2022.pdf | bagus@unt.edu | bagus@unt.edu |
| Bryan Changala | Oral | Franck-Condon spectra of vibrationally unbound molecules | 2022_Sanibel_abstract.pdf | bryan.changala@cfa.harvard.edu | bryan.changala@cfa.harvard.edu |
| Bryan Changala | Poster | Perturbation theory for vibronic structure and dynamics: non-adiabatic and vibrationally unbound molecules | 2022_Sanibel_poster_abstract.pdf | bryan.changala@cfa.harvard.edu | bryan.changala@cfa.harvard.edu |
| Qianyi, Cheng | Poster | QM-Cluster Model Study of Enzymatic Reaction between Cytochrome P450 Enzyme GcoA and Various Substrates | 2022Sanibel_abstract.pdf | qcheng1@memphis.edu | qcheng1@memphis.edu |
| Akbar Salam | Oral | Discriminatory RET Mediated by One and Two Polarizable Molecules | as-san22-abs.pdf | salama@wfu.edu | salama@wfu.edu |
| Xindong Wang | Oral | Exact Solutions of a Quadratic Many-Body Spin ½ Fermionic Hamiltonian with Pairing and No-Double-Occupancy Constraint | SanibelAbstract1.pdf | xdwang@sophyicstech.com | xdwang@sophyicstech.com |
| Aleksandra Leszczyk | Poster | CCSD tailored with orbital-optimized pair-CCD and matrix-product-state wave functions | aleksandra_leszczyk.pdf | aleksandra.leszczyk@doktorant.umk.pl | aleksandra.leszczyk@doktorant.umk.pl |
| Jacek Klos | Poster | Modeling collisions between gases and laser-cooled atoms for Cold-Atom-Vacuum-Standard devices | Abstract_Sanibel2022_Jacek_Klos.pdf | jklos@umd.edu | jklos@umd.edu |
| Eliseo Ruiz | Invited | Theoretical Challenges in Molecular Magnetism and Spintronics | Sanibel-Eliseo-Ruiz.pdf | eliseo.ruiz@qi.ub.es | eliseo.ruiz@qi.ub.es |
| Thanh Lam, Nguyen | Oral | The Reaction of Methylidyne with Methane: Role of the Quartet Electronic State | Abstract_Nguyen.pdf | tlam.nguyen@chem.ufl.edu | tlam.nguyen@chem.ufl.edu |
| Kade, Head-Marsden | Oral | A quantum algorithm for non-unitary time evolution of quantum systems | Sanibel_abstract.pdf | kheadmarsden@seas.harvard.edu | kheadmarsden@seas.harvard.edu |