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Pure Appl. Chem., 2004, Vol. 76, No. 10, pp. 1809-1823

http://dx.doi.org/10.1351/pac200476101809

Building a molecular-level picture of the ultrafast dynamics of the charge-transfer-to-solvent (CTTS) reaction of sodide (Na¯)

I. B. Martini, E. R. Barthel and B. J. Schwartz

Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, CA 90095-1569, USA

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  • Schwartz Benjamin J., Glover William J., Larsen Ross E.: First principles multielectron mixed quantum/classical simulations in the condensed phase. I. An efficient Fourier-grid method for solving the many-electron problem. J Chem Phys 2010, 132, 144101. <http://dx.doi.org/10.1063/1.3352564>
  • Glover William J., Larsen Ross E., Schwartz Benjamin J.: First principles multielectron mixed quantum/classical simulations in the condensed phase. II. The charge-transfer-to-solvent states of sodium anions in liquid tetrahydrofuran. J Chem Phys 2010, 132, 144102. <http://dx.doi.org/10.1063/1.3352565>
  • Larsen Molly C., Schwartz Benjamin J.: Searching for solvent cavities via electron photodetachment: The ultrafast charge-transfer-to-solvent dynamics of sodide in a series of ether solvents. J Chem Phys 2009, 131, 154506. <http://dx.doi.org/10.1063/1.3245864>
  • Glover William J., Larsen Ross E., Schwartz Benjamin J.: The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase. J Chem Phys 2008, 129, 164505. <http://dx.doi.org/10.1063/1.2996350>
  • Chen Xiyi, Bradforth Stephen E.: The Ultrafast Dynamics of Photodetachment. Ann Rev Phys Chem 2008, 59, 203. <http://dx.doi.org/10.1146/annurev.physchem.58.032806.104702>
  • Shoshana O., P?rez Lustres J. L., Ernsting N. P., Ruhman S.: Mapping CTTS dynamics of Na? in tetrahydrofurane with ultrafast multichannel pump?probe spectroscopy. Phys Chem Chem Phys 2006, 8, 2599. <http://dx.doi.org/10.1039/b602933g>
  • Smallwood C. Jay, Mejia Cesar N., Glover William J., Larsen Ross E., Schwartz Benjamin J.: A computationally efficient exact pseudopotential method. II. Application to the molecular pseudopotential of an excess electron interacting with tetrahydrofuran (THF). J Chem Phys 2006, 125, 074103. <http://dx.doi.org/10.1063/1.2218835>