Geometry optimization by direct inversion in the iterative subspace

Pulay, 1969, Mol. Phys., 17, 197, 10.1080/00268976900100941

Pulay, 1977, 153

Sellers, 1978, Chem. Phys. Letters, 58, 541, 10.1016/0009-2614(78)80014-1

Murtagh, 1970, Comput. J., 13, 185, 10.1093/comjnl/13.2.185

McIver, 1971, Chem. Phys. Letters, 10, 303, 10.1016/0009-2614(71)80294-4

Rinaldi, 1976, Comput. Chem., 1, 109, 10.1016/0097-8485(77)80009-0

Smirnov, 1980, J. Mol. Struct., 65, 163, 10.1016/0022-2860(80)85188-X

Fletcher, 1970, Comput. J., 13, 317, 10.1093/comjnl/13.3.317

Bernardi, 1981, J. Mol. Struct., 86, 123, 10.1016/0166-1280(81)85078-6

Schlegel, 1982, J. Comp. Chem., 3, 214, 10.1002/jcc.540030212

Pulay, 1980, Chem. Phys. Letters, 73, 393, 10.1016/0009-2614(80)80396-4

Pulay, 1982, J. Comp. Chem., 3, 556, 10.1002/jcc.540030413

Roos, 1977, 285

Pople, 1979, Int. J. Quantum Chem. Symp., 13, 225

P. Császár and P. Pulay, to be published