HONDO computer program

As our computations use the HONDO/8 program (22) which is based on the CPHF (Coupled Perturbed Hartree Fock) method (23) we begin by briefly recalling this method. 

Another attempt to formalize the distribution of software for atomic and molecular physics is the journal Computer Physics Communications K. V. Roberts, Comput. Phys. Commun., 1969, 1, 1 which published both scientific papers and computer programs. In spite of the continued success of this journal, it has nevertheless has to be observed that few complete quantum chemical packages have been published via this mechanism, although there are exceptions. For example, the HONDO code, The general atomic and molecular electronic structure system HONDO version 7.0 was published in Computer Physics Communications in 1989. ... 

A card input is rather complicated (especially for beginners), which makes large sequences of calculations (e.g. geometry optimization) somewhat troublesome. Compared to modern programs, such as PHANTOM or HONDO, POLYATOM Is relatively slow. It may be concluded that rather than to routine SCF calculations POLYATOM is more suited to special applications and experimentation with new computational techniques. 

CJACS hits for other ab initio programs in Figure 13 include HONDO, GAMESS, and CADPAC. All these were developed in the era of nongraphical input/output. DMol is a program for density functional computations. ... 

S- P. Kama and M. Dupuis,/. Comput. Chem., 12,487 (1991). Frequency Dependent Nonlinear Optical Properties of Molecules Formulatiou and Implementation in the HONDO Program. 

A. Komornicki, K. Ishida, K. Morokuma, R, Ditch field, and M. Conrad, Efficient determination and characterization of transition states using ah initio methods, Chem. Phys. Lett. 45 595 (1977) K, Morokuma, S. Kato, K. Kitaura, I. Ohmine, S. Sakai, and S. Obara, IMSPACK, IMS Computer Center Library Program No. 0372 (1980), consisting of GAUSSIAN70, HONDO, and its own gradient, optimization, and other routines. 

Kama, S.P. and Dupuis, M. (1991) Frequency dependent nonlinear optical properties of molecules formulation and implementation in the HONDO program. J. Comput. Chem., 12, 487-504. 

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