On extending and optimising the direct product decomposition

References

• J.T. Hougen, J. Chem. Phys. 37 (7), 1433–1441 (1962). doi: 10.1063/1.1733301
   Web of Science ®Google Scholar
• H.C. Longuet-Higgins, Mol. Phys. 6 (5), 445–460 (1963). doi: 10.1080/00268976300100501
   Web of Science ®Google Scholar
• J.F. Stanton, J. Gauss, J.D. Watts and R.J. Bartlett, J. Chem. Phys. 94 (6), 4334–4345 (1991). doi: 10.1063/1.460620
   Web of Science ®Google Scholar
• J. Gauss, J.F. Stanton and R.J. Bartlett, J. Chem. Phys. 95 (4), 2623–2638 (1991). doi: 10.1063/1.460915
   Web of Science ®Google Scholar
• M. Dupuis and H.F. King, Int. J. Quantum Chem. 11 (4), 613–625 (1977). doi: 10.1002/qua.560110408
   Web of Science ®Google Scholar
• H. Lischka, R. Shepard, F.B. Brown and I. Shavitt, Int. J. Quantum Chem. 20 (S15), 91–100 (1981). doi: 10.1002/qua.560200810
   Google Scholar
• R.M. Pitzer, J. Chem. Phys. 58 (7), 3111–3112 (1973). doi: 10.1063/1.1679625
   Web of Science ®Google Scholar
• J. Almlöf, The MOLECULE program system. Technical Report 74-29, University of Stockholm Institute of Theoretical Physics, 1974.
   Google Scholar
• E.R. Davidson, J. Chem. Phys. 62 (2), 400–403 (1975). doi: 10.1063/1.430484
   Web of Science ®Google Scholar
• P.R. Taylor, Theoret. Chim. Acta 69 (5–6), 447–460 (1986). doi: 10.1007/BF00526703
   Google Scholar
• G. Herzberg, Infrared and Raman Spectra of Polyatomic Molecules (Krieger Publishing Company, Malabar, 1991).
   Google Scholar
• G. Herzberg, Electronic Spectra and Electronic Structure of Polyatomic Molecules (Krieger Publishing Company, Malabar, 1991).
   Google Scholar
• T.L. Windus and J.A. Pople, Int. J. Quantum Chem. 56 (S29), 485–495 (1995). doi: 10.1002/qua.560560852
   Google Scholar
• S. Hirata, J. Phys. Chem. A 107 (46), 9887–9897 (2003). doi: 10.1021/jp034596z
   Web of Science ®Google Scholar
• E. Epifanovsky, M. Wormit, T. Kuś, A. Landau, D. Zuev, K. Khistyaev, P. Manohar, I. Kaliman, A. Dreuw and A.I. Krylov, J. Comput. Chem. 34, 2293–2309 (2013). doi: 10.1002/jcc.23377
   PubMed Web of Science ®Google Scholar
• E. Deumens, V.F. Lotrich, A. Perera, M.J. Ponton, B.A. Sanders and R.J. Bartlett, Wiley Interdiscip. Rev. Comput. Mol. Sci. 1 (6), 895–901 (2011). doi: 10.1002/wcms.77
   Web of Science ®Google Scholar
• I.A. Kaliman and A.I. Krylov, J. Comput. Chem. 38 (11), 842–853 (2017). doi: 10.1002/jcc.24713
   PubMed Web of Science ®Google Scholar
• J.A. Calvin and E.F. Valeev, Task-based algorithm for matrix multiplication: a step towards block-sparse tensor computing. ArXiv150405046 Cs, April 2015.
   Google Scholar
• J.F. Stanton, J. Gauss, J.D. Watts, W.J. Lauderdale and R.J. Bartlett, Int. J. Quantum Chem. 44 (26), 879–894 (1992). doi: 10.1002/qua.560440876
   Google Scholar
• J.F. Stanton, J. Gauss, L. Cheng, M.E. Harding, D.A. Matthews, P.G. Szalay, A.A. Auer, R.J. Bartlett, U. Benedikt, C. Berger, D.E. Bernholdt, Y.J. Bomble, O. Christiansen, F. Engel, R. Faber, M. Heckert, O. Heun, M. Hilgenberg, C. Huber, T.-C. Jagau, D. Jonsson, J. Jusélius, T. Kirsch, K. Klein, W.J. Lauderdale, F. Lipparini, T. Metzroth, L.A. Mück, D.P. O'Neill, D.R. Price, E. Prochnow, C. Puzzarini, K. Ruud, F. Schiffmann, W. Schwalbach, C. Simmons, S. Stopkowicz, A. Tajti, J. Vázquez, F. Wang and J.D. Watts, CFOUR, Coupled-Cluster Techniques for Computational Chemistry, a Quantum-Chemical Program Package with the Integral Packages MOLECULE (J. Almlöf and P. R. Taylor), PROPS (P. R. Taylor), ABACUS (T. Helgaker, H. J. Jensen, P. Jørgensen and J. Olsen), and ECP Routines by A. V. Mitin and C. van Wüllen.
   Google Scholar
• 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. David Sherrill and T. Daniel Crawford, Wiley Interdiscip. Rev. Comput. Mol. Sci. 2 (4), 556–565 (2012). doi: 10.1002/wcms.93
   Web of Science ®Google Scholar
• S. Manzer, E. Epifanovsky, A.I. Krylov and M. Head-Gordon, J. Chem. Theory Comput. 13 (3), 1108–1116 (2017). doi: 10.1021/acs.jctc.6b00853
   PubMed Web of Science ®Google Scholar
• J.J. Dongarra, J. Du Croz, S. Hammarling and I.S. Duff, ACM Trans. Math. Softw. 16 (1), 1–17 (1990). doi: 10.1145/77626.79170
   Web of Science ®Google Scholar
• P. Springer and P. Bientinesi, ACM Trans. Math. Softw. 44 (3), 28:1–28:29 (2018). doi: 10.1145/3157733
   Google Scholar
• D. Matthews, SIAM J. Sci. Comput. 40 (1), C1–C24 (2018). doi: 10.1137/16M108968X
   Web of Science ®Google Scholar
• D.A. Matthews, Tensor-Based Library Instantiation Software (TBLIS). <https://github.com/devinamatthews/tblis>.
   Google Scholar