CADPAC, the Cambridge Analytic Derivatives Package, is a suite of programs for ab initio

Ab initio quantum chemistry methods

Ab initio quantum chemistry methods are computational chemistry methods based on quantum chemistry. The term ab initiowas first used in quantum chemistry by Robert Parr and coworkers, including David Craig in a semiempirical study on the excited states of benzene.The background is described by Parr...

 computational chemistry

Computational chemistry

Computational chemistry is a branch of chemistry that uses principles of computer science to assist in solving chemical problems. It uses the results of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of molecules and solids...

 calculations. It has been developed by R. D. Amos with contributions from I. L. Alberts, J. S. Andrews, S. M. Colwell, N. C. Handy

Nicholas C. Handy

Nicholas Charles Handy is a Professor of quantum chemistry, University of Cambridge, UK.He has written 320 scientific papers published in physical and theoretical chemistry journals. He retired from his Cambridge Professorship in September 2004.-Contributions:He has developed several methods in...

, D. Jayatilaka, P. J. Knowles, R. Kobayashi, K. E. Laidig, G. Laming, A. M. Lee, P. E. Maslen, C. W. Murray, J. E. Rice, E. D. Simandiras, A. J. Stone ,M.-D. Su and D. J. Tozer. at Cambridge University since 1981. It is capable of molecular Hartree-Fock

Hartree-Fock

In computational physics and chemistry, the Hartree–Fock method is an approximate method for the determination of the ground-state wave function and ground-state energy of a quantum many-body system....

 calculations, Møller-Plesset calculations, various other correlated

Electronic correlation

Electronic correlation is the interaction between electrons in the electronic structure of a quantum system.- Atomic and molecular systems :...

 calculations and Density functional theory

Density functional theory

Density functional theory is a quantum mechanical modelling method used in physics and chemistry to investigate the electronic structure of many-body systems, in particular atoms, molecules, and the condensed phases. With this theory, the properties of a many-electron system can be determined by...

calculations.