Fast Algorithms for FCI Excited States - IPAM at UCLA

Fast Algorithms for FCI Excited States - IPAM at UCLA

Institute for Pure & Applied Mathematics (IPAM) via YouTube Direct link

Q IN ITERATION

14 of 19

14 of 19

Q IN ITERATION

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Fast Algorithms for FCI Excited States - IPAM at UCLA

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  1. 1 Intro
  2. 2 SCHRÖDINGER EQUATION
  3. 3 NUMERICAL DISCRETIZATION
  4. 4 HAMILTONIAN MATRIX
  5. 5 FULL CONFIGURATION INTERACTION
  6. 6 FULL CI EIGENVALUE PROBLEM
  7. 7 OUTLINE
  8. 8 EDGE EIGENVALUE PROBLEM
  9. 9 EXACT LINE-SEARCH OF C
  10. 10 CDFCI COORDINATE DESCENT FULL CONEGURATION INTERACTION
  11. 11 ESTIMATOR OF EIGENVALUE
  12. 12 COMPLEXITY PER ITERATION
  13. 13 NUMERICAL EXAMPLE II - N2
  14. 14 Q IN ITERATION
  15. 15 UNROLL OFM
  16. 16 CONVERGENCE THEOREM
  17. 17 ACCELERATION TECHNIQUES
  18. 18 NUMERICAL RESULTS III FOR TRIOFM
  19. 19 CONCLUSION FUTURE WORK

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