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Yi Xie
Group Position: Graduate Student
Representative Publications

``Is the Oxywater Radical Cation More Stable Than Neutral Oxywater?,'' Y. Xie, W. D. Allen, Y. Yamaguchi, and H. F. Schaefer, J. Chem. Phys. 104, 7615-7623 (1996)

``Theory and Applications of Spin-restricted Open-shell Møller-Plesset Theory,'' D. J. Tozer, N. C. Handy, R. D. Amos, J. A. Pople, R. H. Nobes, Y. Xie, and H. F. Schaefer, Mol. Phys. 79, 777-793 (1993)

``Symmetry Breaking in the NO2 σ Radical: Construction of the 2A1 and 2B2 States with Cs Symmetry Complete Active Space Self-consistent-field Wave Functions,'' C. P. Blahous, B. F. Yates, Y. Xie, and H. F. Schaefer, J. Chem. Phys. 93, 8105-8109 (1990)

`` PSI4 1.4: Open-Source Software for High-Throughput Quantum Chemistry,'' D. G. A. Smith, L. A. Burns, A. C. Simmonett, R. M. Parrish, M. C. Schieber, R. Galvelis, P. Kraus, H. Kruse, R. Di Remigio, A. Alenaizan, A. M. James, S. Lehtola, J. P. Misiewicz, M. Scheurer, R. A. Shaw, J. B. Schriber, Y. Xie, Z. L. Glick, D. A. Sirianni, J. S. O'Brien, J. M. Waldrop, A. Kumar, E. G. Hohenstein, B. P. Pritchard, B. R. Brooks, H. F. Schaefer, A. Yu. Sokolov, K. Patkowski, A. E. DePrince, U. Bozkaya, R. A. King, F. A. Evangelista, J. M. Turney, T. D. Crawford, and C. D. Sherrill, J. Chem. Phys. 152, 184108 (2020) (doi: 10.1063/5.0006002)

``Acetylene: Synergy Between Theory and Experiment,'' J. K. Lundberg, R. W. Field, C. D. Sherrill, E. T. Seidl, Y. Xie, and H. F. Schaefer, J. Chem. Phys. 98, 8384-8391 (1993) (doi: 10.1063/1.464496)

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Georgia Institute of Technology
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