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Programs written by students in the Spring 2015 iteration of CHEM 850: Advanced Quantum Chemistry at the University of Kansas

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CHEM-Course-Code

Programs written by students in the Spring 2015 iteration of CHEM 850: Advanced Quantum Chemistry at the University of Kansas

Fortran 08 stand-alone RHF and unrestricted CCSD code programs, developed by the Spring 2015 Advanced Quantum Chemistry class. The scripts can be compiled with a simple gfortran compiler. The RHF program uses uncontracted s-type Gaussian functions as the basis set. The CCSD program requires 2e integrals and orbital energies to be precalculated and stored in labelled files. The code, information on how to use the program, and a couple of test jobs are included in the respective folders.

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Programs written by students in the Spring 2015 iteration of CHEM 850: Advanced Quantum Chemistry at the University of Kansas

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