Fast Algorithms for FCI Excited States - IPAM at UCLA
Institute for Pure & Applied Mathematics (IPAM) via YouTube
Overview
Syllabus
Intro
SCHRÖDINGER EQUATION
NUMERICAL DISCRETIZATION
HAMILTONIAN MATRIX
FULL CONFIGURATION INTERACTION
FULL CI EIGENVALUE PROBLEM
OUTLINE
EDGE EIGENVALUE PROBLEM
EXACT LINE-SEARCH OF C
CDFCI COORDINATE DESCENT FULL CONEGURATION INTERACTION
ESTIMATOR OF EIGENVALUE
COMPLEXITY PER ITERATION
NUMERICAL EXAMPLE II - N2
Q IN ITERATION
UNROLL OFM
CONVERGENCE THEOREM
ACCELERATION TECHNIQUES
NUMERICAL RESULTS III FOR TRIOFM
CONCLUSION FUTURE WORK
Taught by
Institute for Pure & Applied Mathematics (IPAM)