BERKELEY: An “open ended” Configuration Interaction (CI) program designed for minicomputers

[1]  C. M. Reeves,et al.  Automatic Fundamental Calculations of Molecular Structure , 1956, Nature.

[2]  Isaiah Shavitt,et al.  The Method of Configuration Interaction , 1977 .

[3]  Geerd H. F. Diercksen,et al.  Optimized transformation of four center integrals , 1974 .

[4]  E. Davidson The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices , 1975 .

[5]  M. Yoshimine,et al.  Construction of the hamiltonian matrix in large configuration interaction calculations , 1973 .

[6]  C. Bender,et al.  The iterative calculation of several of the lowest or highest eigenvalues and corresponding eigenvectors of very large symmetric matrices , 1973 .

[7]  I. Shavitt,et al.  Comparison of slater and contracted gaussian basis sets in SCF and CI calculations on H2O , 1970 .

[8]  A L Robinson Computational chemistry: getting more from a minicomputer. , 1976, Science.

[9]  B. Roos,et al.  A new method for large-scale Cl calculations , 1972 .

[10]  R. K. Nesbet,et al.  Computer Programs for Electronic Wave-Function Calculations , 1963 .

[11]  William H. Fink,et al.  A thorough analysis and exposition of the four-index transformation , 1974 .

[12]  Henry F. Schaefer,et al.  Ab Initio Potential Curve for the X 3Σg− State of O2 , 1971 .

[13]  William H. Miller,et al.  Large scale scientific computation via minicomputer , 1977, Comput. Chem..

[14]  J. Lavail,et al.  Retrograde Axonal Transport in the Central Nervous System , 1972, Science.

[15]  P. K. Pearson,et al.  Potential Energy Surface Including Electron Correlation for F + H2 → FH + H: Refined Linear Surface , 1972, Science.

[16]  R. Nesbet Algorithm for Diagonalization of Large Matrices , 1965 .

[17]  I. Shavitt Modification of Nesbet's algorithm for the iterative evaluation of eigenvalues and eigenvectors of large matrices , 1970 .

[18]  I. Shavitt,et al.  Ab initio SCF and CI studies on the ground state of the water molecule. I. Comparison of CGTO and STO basis sets near the Hartree-Fock limit , 1975 .

[19]  P. K. Pearson,et al.  Repulsive 3∑− and low-lying (⩾ 1.9 eV) 3∑+ states of BeO☆ , 1971 .

[20]  C. Bender,et al.  Integral transformations. A bottleneck in molecular quantum mechanical calculations , 1972 .