Semi-empirical quantum chemistry method (Wikipedia)

J Sadlej, Semi-empirical methods of quantum chemistry (Wiley, 1985) – QD462.S2313

Semiempirical methods of electronic structure calculation, ed G A Segal (Plenum Press, 1977) – QD461.S396

R L M Gieseking, A new release of MOPAC incorporating the INDO/S semiempirical model with CI excited states, JCC 42, 365 (2021)

J J P Stewart, Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters, J Mol Model 19, 1 (2013) – *PM7*

J J P Stewart, Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements, J Mol Model 13, 1173 (2007) – *PM6*

M Elstner, D Porezag, G Jungnickel, J Elsner, M Haugk, T Frauenheim, S Suhai, G Seifert, Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties, PRB 58, 7260 (1998)

J J P Stewart, Application of Localized Molecular Orbitals to the Solution of Semiempirical Self-Consistent Field Equations, IJQC 58, 133 (1996) – *MOZYME*

M Zerner, Semiempirical molecular orbital methods, RCC 2, 313 (1991)

J J P Stewart, Optimization of parameters for semiempirical methods III. Extension of PM3 to Be, Mg, Zn, Ga, Ge, As, Se, Cd, In, Sn, Sb, Te, Hg, Tl, Pb, and Bi, JCC 12, 320 (1991) – *PM3*

J J P Stewart, Optimization of parameters for semiempirical methods II. Applications, JCC 10, 221 (1989) – *PM3*

J J P Stewart, Optimization of parameters for semiempirical methods I. Method, JCC 10, 209 (1989) – *PM3*

M J S Dewar, K M Dieter, Evaluation of AM1 calculated proton affinities and deprotonation enthalpies, JACS 108, 8075 (1986)

M J S Dewar, E G Zoebisch, E F Healy, J J P Stewart, AM1: a new general purpose quantum mechanical molecular model, JACS 107, 3902 (1985)

M J S Dewar, W Thiel, Ground states of molecules, 38. The MNDO method. Approximations and parameters, JACS 99, 4899 (1977)

J Ridley, M Zerner, An intermediate neglect of differential overlap technique for spectroscopy: Pyrrole and the azines, Theor chim acta 32, 111 (1973) – *ZINDO*

M S Gordon, J A Pople, Approximate self-consistent molecular orbital theory. VI. INDO calculated equilibrium geometries, JCP 49, 4643 (1968)

J A Pople, D L Beveridge, P A Dobosh, Approximate self-consistent molecular orbital theory. V. Intermediate neglect of differential overlap, JCP 47, 2026 (1967)

D P Santry, G A Segal, Approximate self-consistent molecular orbital theory. IV. Calculations on molecules including the elements sodium through chlorine, JCP 47, 158 (1967)

J A Pople, G A Segal, Approximate self-consistent molecular orbital theory. III. CNDO results for AB2 and AB3 Systems, JCP 44, 3289 (1966)

J A Pople, G A Segal, Approximate self-consistent molecular orbital theory. II. Calculations with complete neglect of differential overlap, JCP 43, S136 (1965)

J A Pople, D P Santry, G A Segal, Approximate self-consistent molecular orbital theory. I. Invariant procedures, JCP 43, S129 (1965)

R Hoffmann, An extended Huckel theory. I. Hydrocarbons, JCP 39, 1397 (1963)

J A Pople, Electron interaction in unsaturated hydrocarbons, Trans Faraday Soc 48, 1375 (1953)

R Pariser, R G Parr, A semi-empirical theory of the electronic spectra and electronic structure of complex unsaturated molecules, JCP 21, 466 (1953)