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TDHF for frequency-dependent operators #33

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benroberts999 opened this issue Jan 24, 2024 · 2 comments
Open

TDHF for frequency-dependent operators #33

benroberts999 opened this issue Jan 24, 2024 · 2 comments
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bug Significant bug/error physics question

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@benroberts999
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  • TDHF method doesn't work for frequency-dependent E1v operator, though diagram method does
  • Possibly linked to TDHF for even operators #3 (possibly unrelated though)
  • Neither method is correctly symmetric for E1v (probably $|\omega|$ vs. $\omega$)
  • "Basis" method performs the same as TDHF - which is somewhat interesting
    • "Basis" method is equivalent to TDHF, but instead of solving TDHF equations, expands solutions using a basis
    • nb: "basis" method is extremely slow, and should only be used for testing

Length form (independent of $\omega$)

E1(L) $\omega$ HF TDHF Diagram Basis
6p- - 6s+ 0.0418 -5.2777 -4.9747 -4.9747 -4.9747
6p+ - 6s+ 0.0436 7.4264 7.0137 7.0137 7.0137
6s+ - 6p- -0.0418 -5.2777 -4.9747 -4.9747 -4.9747
6s+ - 6p+ -0.0436 -7.4264 -7.0137 -7.0137 -7.0137

Velocity form ($\omega$ dependent)

E1(v) $\omega$ HF TDHF Diagram Basis
6p- - 6s+ 0.0418 -5.0371 1.9758 -4.9747 1.9755
6p+ - 6s+ 0.0436 7.0662 -1.9837 7.0137 -1.9834
6s+ - 6p- -0.0418 5.0371 12.0498 5.0994 12.0495
6s+ - 6p+ -0.0436 7.0662 16.1161 7.1187 16.1157

Full code input/output: E1_LvsV.txt

@benroberts999 benroberts999 added bug Significant bug/error physics question labels Jan 24, 2024
@benroberts999
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Note: Dzuba code has same issue with TDHF (though gives different number again):

w = 0.04175221

Iteration #   1 Delta=0.1442E-10 eps=0.1000E-09
matv:  -0.816497  <-1  6|V| 1  6>=  0.503706E+01  0.584510E+01
matv:  -0.816497  < 1  6|V|-1  6>=  0.503706E+01  0.422902E+01

w = 0.04358263

Iteration #   1 Delta=0.1717E-10 eps=0.1000E-09
matv:   1.154701  <-1  6|V|-2  6>= -0.706618E+01 -0.803144E+01
matv:  -1.154701  <-2  6|V|-1  6>=  0.706618E+01  0.610092E+01

@benroberts999
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At the very least, issue probably has something to do with incorrect sign for omega (that seems to be part, but not the fill problem):
See output:
e1-v.txt

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