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QC2534: Model of H2+ in an Electromagnetic Field

from set H2PLUS, from the NEP Collection

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Visualizations

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Structure Plot City Plot
structure plot city plot


Matrix Statistics

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Size Type
2534 x 2534, 463360 entries complex symmetric indefinite
Nonzeros
totaldiagonalbelow diagonalabove diagonalA-A'A-A*
463360 2534 230413 230413 0 463360
Column Data Row Data
Average nonzeros per column : 1.8e+02
Standard deviation : 0.35

indexnonzeros
longest182 183
shortest1 182

Average nonzeros per row : 1.8e+02
Standard deviation : 0.35

indexnonzeros
longest182 183
shortest1 182

Bandwidths Profile Storage
lower182 upper182
average |i-j|62 std.dev.44
minmaxave.std.dev.
lower bandwidth0 181 1.7e+02 27
upper bandwidth0 181 1.7e+02 27

Symmetric skyline storage requirement:444717

Heaviest diagonals
offset from main0 -1 1 -2 2 -3 3 -4 4 -5
nonzeros2534 2520 2520 2506 2506 2492 2492 2478 2478 2464
accumulated percent 0.55 1.09 1.63 2.18 2.72 3.25 3.79 4.33 4.86 5.39

Top 10 out of 363 nonvoid diagonals.
Conditioning
Frobenius norm40 condition number (est.)Not available.
2-norm (est.)3.3 diagonal dominanceno


Set Information

Set H2PLUS
Source: S.I. Chu, University of Kansas
Discipline:Quantum chemistry


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Last change in this page: Wed Sep 22 13:37:25 US/Eastern 2004 [Comments: ]