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QC324: 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
324 x 324, 26730 entries complex symmetric indefinite
Nonzeros
totaldiagonalbelow diagonalabove diagonalA-A'A-A*
26730 324 13203 13203 0 26730
Column Data Row Data
Average nonzeros per column : 82
Standard deviation : 0.5

indexnonzeros
longest82 83
shortest1 82

Average nonzeros per row : 82
Standard deviation : 0.5

indexnonzeros
longest82 83
shortest1 82

Bandwidths Profile Storage
lower82 upper82
average |i-j|28 std.dev.20
minmaxave.std.dev.
lower bandwidth0 81 71 21
upper bandwidth0 81 71 21

Symmetric skyline storage requirement:23247

Heaviest diagonals
offset from main0 -1 1 -2 2 -3 3 -4 4 -5
nonzeros324 320 320 316 316 312 312 308 308 304
accumulated percent 1.21 2.41 3.61 4.79 5.97 7.14 8.31 9.4610.6111.75

Top 10 out of 163 nonvoid diagonals.
Conditioning
Frobenius norm5.6 condition number (est.)Not available.
2-norm (est.)1.5 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: ]