MATRIX SEARCH

Millam, J. M., Scuseria, G. E., 1997, Linear Scaling Conjugate Gradient Density Matrix Search as an Alternative to Diagonalization for First Principles Electronic Structure Calculations , J. Chem. Phys., 106, 5569. 

This process is repeated as the path is traced though the matrix searching for the highest scores and entering the scores as calculated above for the intermediate states, leading to the final matrix ... 

MATRIX SEARCH http //bimas. dcrt.nih.gov/molbio/matrixs/ IMD matrix library (TRANSFAC + TFD)... 

Chen, Q. K., Hertz, G. Z., Stormo, G. D. (1995) MATRIX SEARCH 1.0 A computer program that scans DNA sequences for transcriptional elements using a database of weight matrices. Comp Appl Biosci 11, 563-566. 

Daniels AD, Milliam JM, Scuseria GE. Semiempirical methods with conjugate gradient density matrix search to replace diagonalization for molecular systems containing thousands of atoms. J Chem Phys 1997 107 425 431. 

Application of the Millam-Scuseria conjugate-gradient density-matrix search method (Section 15.5) to semiempirical methods aUowed single-point AMI energy calculations to be done on a 19995-atom polymer of glydne and a 6304-atom RNA molecule [A. D. Daniels, J. M. Millam, and G. E. Scuseria, /. Chem. Phys., 107,425 (1997)]. 

Gradient Density Matrix Search as an Alternative to Diagonalization for First Principles Electronic Structure Calculations. 

---