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Self-consistent field extrapolation methods play a pivotal role in quantum chemistry and electronic structure theory. We, here, demonstrate the mathematical equivalence between the recently proposed family of LIST methods [Wang et al., J. Chem. Phys. 134, 241103 (2011); Y. K. Chen and Y. A. Wang, J. Chem. Theory Comput. 7, 3045 (2011)] and the general form of Pulay's DIIS [Chem. Phys. Lett. 73,...

14. Barber, M., Bordoli, R. S., Sedgwick, R. D. & ‘lylcr, A. N . ( 198 I ) J. Chem. Soc. Chem. Commirri. 7,325-327 Biemann, K. & Martin, S. A. ( 1 987) Moss Spectrom. Rev. 6 , 1-76 Gibson, B. W. & Biemann, K. (1984) /’roc. Nor/. Aciid. Sci. U.S.A. 8 I , 1956I960 Allmaier, G., Chao, B. H., Khorana, H. G. & Biemann, K. ( 1986) in Annual Conference on Moss Spectrometty w i r l Allied Topics 34h, p...