Chemistry Department
Dr. Rollin A. King
Professor of Chemistry
rking@bethel.edu, x6792
Education, Honors, and Awards
- B.S. 1995 Huntington College
- Ph.D. 1999 University of Georgia
- Postdoctoral Research Associate 1999 ETH-Zurich (Swiss Federal Institute of Technology)
- Postdoctoral Research Associate 2000 Cambridge University
- Supported by the NSF's Research Site for Educators in Chemistry program (through the Univ. of Minnesota) 2005
- Supported by the Minnesota Supercomputing Institute 2005-2011
- Visiting Scientist 2002, 2004, Virginia Tech University
- Visiting Scientist 2007, 2008 University of Georgia
- Guest Professor 2008 ETH-Zurich
Research Interests
Quantum chemistry is the application of the physical laws of quantum mechanics to chemistry. Advances in theoretical algorithms and computer hardware have made quantum chemical computations an indispensable part of the modern chemist's toolkit. Molecular structures, reaction energies, and spectroscopic properties are now routinely calculated with a variety of available software packages.
Research in quantum chemistry is an enjoyable mix of mathematics, physics, chemistry and computer science. Particular projects may focus on the invention of new theoretical approaches and their implementation into computer programs, or with the direct application of existing methods to study chemical problems. Collaborating with colleagues around the country, I am a primary developer of the PSI quantum chemistry program. Much of my work has focused on the properties of molecules in electronically excited states.
Teaching Interests
My principal teaching duties are in General Chemistry and Physical Chemistry. In the general education curriculum, I have also taught Chance or Design: Our Place in the Cosmos and Modern Alchemy: Chemistry for the Non-Scientist.
Brief Biography
My wife April and I are both from Indiana and met each other while attending Huntington University. Subsequently, we went to graduate school at the University of Georgia. We moved to Minnesota in 2001. We currently have an 9-year-old daughter, a 7-year old daughter, and a 5-year old son.
Recent Publications
"PSI4: An Open-Source Ab Initio Electronic Structure Program,'' J.M. Turney, A.C. Simmonett, R.M. Parrish, E.G. Hohenstein, F.A. Evangelista, J.T. Fermann, B.J. Mintz, L.A. Burns, J.J. Wilke, M.L. Abrams, N.J. Russ, M.L. Leininger, C.L. Janssen, E.T. Seidl, W.D. Allen, H.F. Schaefer, R.A. King, E.F. Valeev, C.D. Sherrill, and T.D. Crawford, Wiley Interdisciplinary Reviews: Computational Molecular Science 2012, 2:556-565 doi:10.1002/wcms.93.
"A coupled cluster benchmark study of the electronic spectrum of the allyl radical", T. Mach, R.A. King, and T.D. Crawford, Journal of Physical Chemistry A, 114, 8852-8857 (2010).
"A benchmark study of the vertical electronic spectra of the linear chain radicals C2H and and C4H", R.C. Fortenberry, R.A. King, J.F. Stanton, T.D. Crawford, Journal of Chemical Physics, 132, 144303-1-10 (2010).
"Chemistry as a function of the fine-structure constant and the electron-proton mass", R.A. King, A. Siddiqi, W.D. Allen and H.F. Schaefer, Phys. Rev. A, 81, 042523 (2010).
"On the accuracy of spin-component-scaled perturbation theory (SCS-MP2) for the potential energy surface of the ethylene dimer", Rollin A. King, Molecular Physics, 107, 789-795 (2009).
"On the Accuracy of Computed Excited State Dipole Moments", Rollin A. King, Journal of Physical Chemistry A, 112, 5727-5733 (2008).
"Low-lying singlet excited states of isocyanogen", Ashley L. Ringer, C. David Sherrill, Rollin A. King, and T. Daniel Crawford, International Journal of Quantum Chemistry, 108, 1137-1140 (2008).
"Photo-rearrangement of N-substituted pyridinium and meta-alkoxypyridinium ions", Kerri Grove, Rollin A. King and Ulrich Burger, Journal of Molecular Structure: THEOCHEM, 807, 25-32 (2007).
"The lowest 2A' excited state of the water-hydroxyl complex", T. Daniel Crawford, Micah L. Abrams, Rollin A. King, Joseph R. Lane, Daniel P. Schofield, and Henrik G. Kjaergaard, Journal of Chemical Physics, 125, 204302-1-6 (2006).
"PSI3: An open-source ab initio electronic structure package", T.D. Crawford, C.D. Sherrill, E.F. Valeev, J.T. Fermann, R.A. King, M.L. Leininger, S.T. Brown, C.L. Janssen, E.T. Seidl, J.P. Kenny, and W.D. Allen, Journal of Computational Chemistry, 28, 1610-1616 (2007).
"Application of equation-of-motion coupled cluster methods to low-lying singlet and triplet electronic states of HBO and BOH", Nathan J. DeYonker, Se Li, Yukio Yamaguchi, Henry F. Schaefer, T. Daniel Crawford, Rollin A. King, and Kirk A. Peterson, Journal of Chemical Physics, 122, 234316-1-13 (2005).
"Coupled cluster methods including triple excitations for excited states of radicals", Christopher E. Smith, Rollin A. King, and T. Daniel Crawford, Journal of Chemical Physics, 122, 054110-1-8 (2005).
"Computational Study of the Structure and Synthesis of Formazans", Rollin A. King and Benjamin Murrin, Journal of Physical Chemistry A, 108, 4961-4965 (2004).
"Locally correlated equation-of-motion coupled cluster theory for the excited states of large molecules", T. Daniel Crawford and Rollin A. King, Chemical Physics Letters, 366 611-622, (2002).
"Kinetic Energy Functionals for Molecular Calculations", Rollin A. King and Nicholas C. Handy, Molecular Physics, 99, 1005-1009 (2001).
"The Photohydration of N-alkylpyridinium Salts, Theory and Experiment", Rollin A. King, Hans P. Luethi, Henry F. Schaefer, Fabrice Glarner and Ulrich Burger. Chemistry, A European Journal, 7, 1734-1742 (2001).