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How to truncate

Jon Dahl edited this page Mar 2, 2023 · 1 revision

Particle-hole truncation

kshell_ui.py asks you if you want to truncate the model space. For large configurations (many valence nucleons and many shells for them to occupy) truncation might be necessary for KSHELL to actually complete the calculations. We use V50 with the GXPF interaction as an example. This configuration has a dimensionality of:

    2*M        M-scheme dim.          J-scheme dim.
dim.    44                    4                    4   4.00x10^ 0  4.00x10^ 0
dim.    42                   46                   42   4.60x10^ 1  4.20x10^ 1
dim.    40                  263                  217   2.63x10^ 2  2.17x10^ 2
dim.    38                 1069                  806   1.07x10^ 3  8.06x10^ 2
dim.    36                 3489                 2420   3.49x10^ 3  2.42x10^ 3
dim.    34                 9737                 6248   9.74x10^ 3  6.25x10^ 3
dim.    32                23975                14238   2.40x10^ 4  1.42x10^ 4
dim.    30                53304                29329   5.33x10^ 4  2.93x10^ 4
dim.    28               108622                55318   1.09x10^ 5  5.53x10^ 4
dim.    26               205136                96514   2.05x10^ 5  9.65x10^ 4
dim.    24               362005               156869   3.62x10^ 5  1.57x10^ 5
dim.    22               600850               238845   6.01x10^ 5  2.39x10^ 5
dim.    20               942669               341819   9.43x10^ 5  3.42x10^ 5
dim.    18              1403670               461001   1.40x10^ 6  4.61x10^ 5
dim.    16              1990227               586557   1.99x10^ 6  5.87x10^ 5
dim.    14              2694122               703895   2.69x10^ 6  7.04x10^ 5
dim.    12              3489341               795219   3.49x10^ 6  7.95x10^ 5
dim.    10              4331494               842153   4.33x10^ 6  8.42x10^ 5
dim.     8              5160580               829086   5.16x10^ 6  8.29x10^ 5
dim.     6              5907365               746785   5.91x10^ 6  7.47x10^ 5
dim.     4              6502475               595110   6.50x10^ 6  5.95x10^ 5
dim.     2              6886407               383932   6.89x10^ 6  3.84x10^ 5
dim.     0              7019100               132693   7.02x10^ 6  1.33x10^ 5

which is too large to run on a regular computer for any decent amount of requested levels. Lets see how the dimensionality changes with truncation. When kshell_ui.py asks for truncation, enter 1 to apply particle-hole truncation:

truncation for "+" parity state in  V50_gxpf1a_p.ptn
truncation scheme ?
    0 : No truncation (default)
    1 : particle-hole truncation for orbit(s)
    2 : hw truncation
    3 : Both (1) and (2)

1

which outputs:

#    n,  l,  j, tz,    spe
1    0   3   7  -1    -8.624     p_0f7/2
2    1   1   3  -1    -5.679     p_1p3/2
3    0   3   5  -1    -1.383     p_0f5/2
4    1   1   1  -1    -4.137     p_1p1/2
5    0   3   7   1    -8.624     n_0f7/2
6    1   1   3   1    -5.679     n_1p3/2
7    0   3   5   1    -1.383     n_0f5/2
8    1   1   1   1    -4.137     n_1p1/2
specify # of orbit(s) and min., max. occupation numbers for restriction

# of orbit(s) for restriction?  (<CR> to quit):

Here we see the valence orbitals 0f7/2, 1p3/2, 0f5/2 and 1p1/2, for both protons and neutrons. The l column denotes the angular momentum of the orbital, j the total angular momentum of the orbital, and tz the isospin. Let us now restrict the number of protons and neutrons allowed in the 0f7/2 orbital. In the above table we can see that the 0f7/2 orbitals are labeled 1 (protons) and 5 (neutrons). Set the maximum number of protons and neutrons to 2 in those orbitals by:

# of orbit(s) for restriction?  (<CR> to quit): 1,5
min., max. restricted occupation numbersfor the orbit(s) (or max only) : 2

We now check the dimensionality of the truncated configuration:

    2*M        M-scheme dim.          J-scheme dim.
dim.    36                    5                    5   5.00x10^ 0  5.00x10^ 0
dim.    34                   58                   53   5.80x10^ 1  5.30x10^ 1
dim.    32                  303                  245   3.03x10^ 2  2.45x10^ 2
dim.    30                 1148                  845   1.15x10^ 3  8.45x10^ 2
dim.    28                 3474                 2326   3.47x10^ 3  2.33x10^ 3
dim.    26                 8930                 5456   8.93x10^ 3  5.46x10^ 3
dim.    24                20129                11199   2.01x10^ 4  1.12x10^ 4
dim.    22                40732                20603   4.07x10^ 4  2.06x10^ 4
dim.    20                75106                34374   7.51x10^ 4  3.44x10^ 4
dim.    18               127691                52585   1.28x10^ 5  5.26x10^ 4
dim.    16               201896                74205   2.02x10^ 5  7.42x10^ 4
dim.    14               298865                96969   2.99x10^ 5  9.70x10^ 4
dim.    12               416333               117468   4.16x10^ 5  1.17x10^ 5
dim.    10               547983               131650   5.48x10^ 5  1.32x10^ 5
dim.     8               683573               135590   6.84x10^ 5  1.36x10^ 5
dim.     6               810023               126450   8.10x10^ 5  1.26x10^ 5
dim.     4               913390               103367   9.13x10^ 5  1.03x10^ 5
dim.     2               981186                67796   9.81x10^ 5  6.78x10^ 4
dim.     0              1004814                23628   1.00x10^ 6  2.36x10^ 4

where we see that the dimensionality has been reduced by up to an order of magnitude for some angular momenta.

hw truncation

Some model spaces, like the model space of sdpf-mu, span several major shells. In this case we can use hw (hbar omega) truncation to limit the number of particles which are allowed to cross the major shell gap. Lets use $^{44}\text{Sc}$ as an example. $^{44}\text{Sc}$ with the sdpf-mu interaction has a dimensionality so large that we are not even able to calculate the dimensionality, let alone perform the calculations. Here we need to use hw truncation to drastically reduce the size. Choose option 2 when you are prompted for truncation (or option 3 if you plan on using particle-hole truncation in addition to hw), and lets apply a truncation which allows a maximum of 3 particles to be excited across the major shell gap at the same time:

truncation for "+" parity state in  Sc44_sdpf-mu_p.ptn
truncation scheme ?
    0 : No truncation (default)
    1 : particle-hole truncation for orbit(s)
    2 : hw truncation
    3 : Both (1) and (2)

2
(min. and) max hw for excitation : 3
lowest hw, maxhw  60 63
generating partition file ............ done.

In the case of $^{44}\text{Sc}$ with sdpf-mu you will be prompted for truncation of the negative parity levels too. This example uses the same truncation for both $+$ and $-$. In this example, 3 particles are allowed to cross the major shell gaps which results in a dimensionality of

    2*M        M-scheme dim.          J-scheme dim.
dim.    42                    8                    8   8.00x10^ 0  8.00x10^ 0
dim.    40                   84                   76   8.40x10^ 1  7.60x10^ 1
dim.    38                  513                  429   5.13x10^ 2  4.29x10^ 2
dim.    36                 2250                 1737   2.25x10^ 3  1.74x10^ 3
dim.    34                 7950                 5700   7.95x10^ 3  5.70x10^ 3
dim.    32                23800                15850   2.38x10^ 4  1.58x10^ 4
dim.    30                62464                38664   6.25x10^ 4  3.87x10^ 4
dim.    28               146820                84356   1.47x10^ 5  8.44x10^ 4
dim.    26               313940               167120   3.14x10^ 5  1.67x10^ 5
dim.    24               617562               303622   6.18x10^ 5  3.04x10^ 5
dim.    22              1127352               509790   1.13x10^ 6  5.10x10^ 5
dim.    20              1922531               795179   1.92x10^ 6  7.95x10^ 5
dim.    18              3079113              1156582   3.08x10^ 6  1.16x10^ 6
dim.    16              4651003              1571890   4.65x10^ 6  1.57x10^ 6
dim.    14              6648334              1997331   6.65x10^ 6  2.00x10^ 6
dim.    12              9018026              2369692   9.02x10^ 6  2.37x10^ 6
dim.    10             11633108              2615082   1.16x10^ 7  2.62x10^ 6
dim.     8             14296260              2663152   1.43x10^ 7  2.66x10^ 6
dim.     6             16760154              2463894   1.68x10^ 7  2.46x10^ 6
dim.     4             18762983              2002829   1.88x10^ 7  2.00x10^ 6
dim.     2             20072284              1309301   2.01x10^ 7  1.31x10^ 6
dim.     0             20527802               455518   2.05x10^ 7  4.56x10^ 5

and

    2*M        M-scheme dim.          J-scheme dim.
dim.    50                    6                    6   6.00x10^ 0  6.00x10^ 0
dim.    48                   95                   89   9.50x10^ 1  8.90x10^ 1
dim.    46                  735                  640   7.35x10^ 2  6.40x10^ 2
dim.    44                 3972                 3237   3.97x10^ 3  3.24x10^ 3
dim.    42                16782                12810   1.68x10^ 4  1.28x10^ 4
dim.    40                59228                42446   5.92x10^ 4  4.24x10^ 4
dim.    38               181116               121888   1.81x10^ 5  1.22x10^ 5
dim.    36               492378               311262   4.92x10^ 5  3.11x10^ 5
dim.    34              1210949               718571   1.21x10^ 6  7.19x10^ 5
dim.    32              2729673              1518724   2.73x10^ 6  1.52x10^ 6
dim.    30              5695210              2965537   5.70x10^ 6  2.97x10^ 6
dim.    28             11083379              5388169   1.11x10^ 7  5.39x10^ 6
dim.    26             20241387              9158008   2.02x10^ 7  9.16x10^ 6
dim.    24             34862609             14621222   3.49x10^ 7  1.46x10^ 7
dim.    22             56856340             21993731   5.69x10^ 7  2.20x10^ 7
dim.    20             88092886             31236546   8.81x10^ 7  3.12x10^ 7
dim.    18            130029311             41936425   1.30x10^ 8  4.19x10^ 7
dim.    16            183263256             53233945   1.83x10^ 8  5.32x10^ 7
dim.    14            247098324             63835068   2.47x10^ 8  6.38x10^ 7
dim.    12            319234048             72135724   3.19x10^ 8  7.21x10^ 7
dim.    10            395690620             76456572   3.96x10^ 8  7.65x10^ 7
dim.     8            471046277             75355657   4.71x10^ 8  7.54x10^ 7
dim.     6            539002617             67956340   5.39x10^ 8  6.80x10^ 7
dim.     4            593209277             54206660   5.93x10^ 8  5.42x10^ 7
dim.     2            628208483             34999206   6.28x10^ 8  3.50x10^ 7
dim.     0            640309604             12101121   6.40x10^ 8  1.21x10^ 7