17) P. Rai, K. Sargsyan, H. Najm, and S. Hirata, “Sparse low rank approximation of potential energy surfaces with applications in estimation of anharmonic zero point energies and frequencies”, The Journal of Chemical Physics under review (2019)

16) P. K. Jha and S. Hirata, “Numerical evidence invalidating finite-temperature many-body perturbation theory” arXiv:1809.10316 [physics.chem-ph]

15) B. Peng, R. van Beeumen, D. B. Williams-Young, K. Kowalski, C. Yang,  "Approximate Green's Function Coupled Cluster Method Employing Effective Dimension Reduction" Journal of Chemical Theory and Computation ASAP article (2019)

14) C. E. Hoyer , D. B. Williams-Young, C. Huang, and X. Li, "Embedding non-collinear two-component electronic structure in a collinear quantum environment" Journal of Chemical Physics 150, 174114 (2019);

13) L. T. Xu, J. V. K. Thompson, T. H. Dunning Jr., "Spin-Coupled Generalized Valence Bond Description of Group 14 Species: The Carbon, Silicon and Germanium Hydrides, XHn (n = 1–4)", Journal of Physical Chemistry A, 123 (12), pp 2401–2419 (2019)

12) M. Mayer, V. van Lessen, M. Rohdenburg, G.-L. Hou, Z. Yang, R. M. Exner, E. Aprà, V. A. Azov, S. Grabowsky, S. S. Xantheas, K. R. Asmis, X.-B. Wang, C. Jenne, J. Warneke, “Rational design of an argon-binding superelectrophilic anion”, Proceedings of the National Academy (USA) 116 (17), pp. 8167-8172 (2019)

11) E. Aprà, J. Warneke, S. S. Xantheas, X.-B. Wang, “A benchmark photoelectron spectroscopicy and theoretical study of the electronic stability of [B12H12]2-”, The Journal of Chemical Physics 150 (16), 164306 (2019)

10) J. Warneke, S. Z. Konieczka, G.-L. Hou, E. Aprà, C. Kerpen, F. Keppner, T. C. Schäfer, M. Deckert, Z. Yang, E. J. Bylaska, G. E. Johnson, J. Laskin, S. S. Xantheas, X.-B. Wang, M. Finze, “Properties of perhalogenated closo-B10 and closo-B11 multiply charged anions and a critical comparison with closo-B12 in the gas and the condensed phase”, Physical Chemistry Chemical Physics 21 (11), pp. 5903-5915 (2019) Inside back cover

9) G. Liu, E. Miliordos, G. Liu, S. N. Ciborowski M. Tschurl, U. Boesl, U. Heiz, X. Zhang, S. S. Xantheas, and K. H. Bowen, “Water Activation by Single Metal-Atom Anions”, Communication to the Editor, The Journal of Chemical Physics 149 (22), 221101 (2018)

8) B. Peng and K. Kowalski, "Green's function coupled cluster formulations utilizing extended inner excitations", The Journal of Chemical Physics 149 (21), 214102 (2018)

7) K. Kowalski, J. Brabec, .B Peng, "Regularized and Renormalized Many-body Techniques for Describing Correlated Molecular Systems: A Coupled-Cluster Perspective", Annual Reports in Computational Chemistry, volume 14, 1st Edition, Elsevier, pp. 345 (2018)

6) J. Zhang, “Origins of the enantioselectivity of a palladium catalyst with BINOL–phosphoric acid ligands”, Organic & Biomolecular Chemistry 16 (43), pp. 80648071 (2018)

5) C. M. Johnson, A. E. Doran, S. L. Ten-no, and S. Hirata, “Monte Carlo explicitly correlated many-body Green’s function theory”, The Journal of Chemical Physics 149 (17), 174112 (2018)

4) K. Blaziak, D. Tzeli, S. S. Xantheas and E. Uggerud, “The activation of carbon dioxide by first row transition metals (Sc – Zn)”, Physical Chemistry Chemical Physics 20 (39), pp. 2549525505 (2018)

3) B. Peng and K. Kowalski, “Green’s Function Coupled-Cluster Approach: Simulating Photoelectron Spectra for Realistic Molecular Systems”, J. Chem. Theory Comput. 14 (8), pp. 4335–4352 (2018)

2) K. Kowalski, “Properties of coupled-cluster equations originating in excitation sub-algebras”, The Journal of Chemical Physics 148 (9), 094104 (2018);

1) J. Warneke, G.-L. Hou, E. Aprà, C. Jenne, Z. Yang, Z. Qin, K. Kowalski, X.-B. Wang and S. S. Xantheas, “Electronic Structure and Stability of (B12X12)2- (X = F − At): A Combined Photoelectron Spectroscopic and Theoretical Study”, Journal of the American Chemical Society 139 (41), pp. 14749–14756  (2017);