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adc-connect / adcc / 26784388084

01 Jun 2026 09:54PM UTC coverage: 74.937% (-0.01%) from 74.951%
26784388084

Pull #211

github

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Merge bd97e846f into f7be28bad
Pull Request #211: Full 2p-ISR(2) difference density

1321 of 2062 branches covered (64.06%)

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100 of 118 new or added lines in 8 files covered. (84.75%)

16 existing lines in 4 files now uncovered.

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86.6
/adcc/adc_pp/state_diffdm_2p.py
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#!/usr/bin/env python3
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## vi: tabstop=4 shiftwidth=4 softtabstop=4 expandtab
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## ---------------------------------------------------------------------
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##
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## Copyright (C) 2026 by the adcc authors
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##
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## This file is part of adcc.
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##
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## adcc is free software: you can redistribute it and/or modify
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## it under the terms of the GNU General Public License as published
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## by the Free Software Foundation, either version 3 of the License, or
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## (at your option) any later version.
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##
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## adcc is distributed in the hope that it will be useful,
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## but WITHOUT ANY WARRANTY; without even the implied warranty of
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## MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
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## GNU General Public License for more details.
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##
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## You should have received a copy of the GNU General Public License
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## along with adcc. If not, see <http://www.gnu.org/licenses/>.
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##
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## ---------------------------------------------------------------------
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from .. import block as b
2✔
24
from ..LazyMp import LazyMp
2✔
25
from ..AdcMethod import IsrMethod
2✔
26
from ..functions import einsum, zeros_like
2✔
27
from ..Intermediates import Intermediates
2✔
28
from ..AmplitudeVector import AmplitudeVector
2✔
29
from ..TwoParticleDensity import TwoParticleDensity
2✔
30
from ..NParticleOperator import OperatorSymmetry
2✔
31
from .util import (
2✔
32
    check_doubles_amplitudes, check_singles_amplitudes, check_triples_amplitudes
33
)
34

35
from typing import Optional, Union
2✔
36

37

38
def diffdm_isr0_2p(mp: LazyMp, amplitude: AmplitudeVector,
2✔
39
                   intermediates: Intermediates) -> TwoParticleDensity:
40
    check_singles_amplitudes([b.o, b.v], amplitude)
2✔
41
    u1 = amplitude.ph
2✔
42

43
    hf = mp.reference_state
2✔
44
    d_oo = zeros_like(hf.foo)
2✔
45
    d_oo.set_mask("ii", 1)
2✔
46

47
    dm = TwoParticleDensity(mp, symmetry=OperatorSymmetry.HERMITIAN)
2✔
48

49
    # one-particle ISR(0) diffdm
50
    p1_oo = -einsum("ia,la->il", u1, u1).evaluate()
2✔
51
    p1_vv = einsum("ka,kb->ab", u1, u1).evaluate()
2✔
52

53
    dm.oooo = (
2✔
54
        # N^4: O^4 / N^4: O^4
55
        - 4.0 * einsum("il,jk->ijkl", p1_oo, d_oo)
56
    ).antisymmetrise(0, 1).antisymmetrise(2, 3)
57
    dm.ovov = (
2✔
58
        # N^4: O^2V^2 / N^4: O^2V^2
59
        - 1.0 * einsum("ja,ib->iajb", u1, u1)
60
        # N^4: O^2V^2 / N^4: O^2V^2
61
        + 1.0 * einsum("ab,ij->iajb", p1_vv, d_oo)
62
    )
63
    return dm
2✔
64

65

66
def diffdm_isr1s_2p(mp: LazyMp, amplitude: AmplitudeVector,
2✔
67
                    intermediates: Intermediates) -> TwoParticleDensity:
68
    dm = diffdm_isr0_2p(mp, amplitude, intermediates)  # Get ISR(0) result
2✔
69
    u1 = amplitude.ph
2✔
70

71
    hf = mp.reference_state
2✔
72
    d_oo = zeros_like(hf.foo)
2✔
73
    d_oo.set_mask("ii", 1)
2✔
74

75
    t2 = mp.t2(b.oovv)
2✔
76
    # TODO move to intermediates!
77
    # one-particle ISR(0) diffdm
78
    p1_oo = -einsum("ia,la->il", u1, u1).evaluate()
2✔
79

80
    # ISR(2) ISR intermediate (TODO Move to intermediates)
81
    ru1 = einsum("ijab,jb->ia", t2, u1).evaluate()
2✔
82
    # new ones
83
    ru1_ooov = einsum("kc,ijac->ijka", u1, t2).evaluate()
2✔
84

85
    dm.oovv += (
2✔
86
        # N^4: O^2V^2 / N^4: O^2V^2
87
        + 4.0 * (
88
            einsum("ib,ja->ijab", ru1, u1)
89
        ).antisymmetrise(0, 1).antisymmetrise(2, 3)
90
        # N^5: O^3V^2 / N^4: O^2V^2
91
        + 2.0 * (
92
            einsum("ijka,kb->ijab", ru1_ooov, u1)
93
        ).antisymmetrise(2, 3)
94
        # N^5: O^3V^2 / N^4: O^2V^2
95
        - 2.0 * (
96
            einsum("jk,ikab->ijab", p1_oo, t2)
97
        ).antisymmetrise(0, 1)
98
    )
99

100
    return dm
2✔
101

102

103
def diffdm_isr1_2p(mp: LazyMp, amplitude: AmplitudeVector,
2✔
104
                   intermediates: Intermediates) -> TwoParticleDensity:
105
    dm = diffdm_isr1s_2p(mp, amplitude, intermediates)  # Get ISR(1)-s result
2✔
106

107
    try:
2✔
108
        # ISR(1)-d
109
        check_doubles_amplitudes([b.o, b.o, b.v, b.v], amplitude)
2✔
110
        u1, u2 = amplitude.ph, amplitude.pphh
2✔
111

112
        hf = mp.reference_state
2✔
113
        d_oo = zeros_like(hf.foo)
2✔
114
        d_oo.set_mask("ii", 1)
2✔
115

116
        dm.ooov += (
2✔
117
            # N^5: O^3V^2 / N^4: O^2V^2
118
            - 2.0 * einsum("kb,ijab->ijka", u1, u2)
119
            # N^4: O^2V^2 / N^4: O^2V^2
120
            - 4.0 * einsum(
121
                "ja,ik->ijka", einsum("lb,jlab->ja", u1, u2), d_oo
122
            ).antisymmetrise(0, 1)
123
        )
124

125
        dm.ovvv += (
2✔
126
            # N^5: O^2V^3 / N^4: O^1V^3
127
            - 2.0 * einsum("ja,ijbc->iabc", u1, u2)
128
        )
129
    except ValueError:
×
130
        # no doubles contribution
131
        pass
×
132
    return dm
2✔
133

134

135
def diffdm_isr2d_2p(mp: LazyMp, amplitude: AmplitudeVector,
2✔
136
                    intermediates: Intermediates) -> TwoParticleDensity:
137
    dm = diffdm_isr1_2p(mp, amplitude, intermediates)  # Get ISR(1) result
2✔
138
    check_doubles_amplitudes([b.o, b.o, b.v, b.v], amplitude)
2✔
139
    u1, u2 = amplitude.ph, amplitude.pphh
2✔
140
    hf = mp.reference_state
2✔
141
    d_oo = zeros_like(hf.foo)
2✔
142
    d_oo.set_mask("ii", 1)
2✔
143

144
    t2 = mp.t2(b.oovv)
2✔
145
    td2 = mp.td2(b.oovv)
2✔
146
    p0 = mp.mp2_diffdm
2✔
147

148
    dm.oooo += (
2✔
149
        # N^6: O^4V^2 / N^4: O^2V^2
150
        + 2.0 * einsum("ijab,klab->ijkl", u2, u2)
151
        # N^6: O^5V^1 / N^4: O^2V^2
152
        - 1.0 * einsum("klmc,ijmc->ijkl", einsum("mb,klbc->klmc", u1, t2),
153
                       einsum("ma,ijac->ijmc", u1, t2))
154
        + (
155
            # N^5: O^3V^2 / N^4: O^2V^2
156
            - 8.0 * einsum("ik,jl->ijkl", einsum("imab,kmab->ik", u2, u2), d_oo)
157
            # N^4: O^4 / N^4: O^4
158
            + 4.0 * einsum("il,jk->ijkl", einsum("ia,la->il", u1, u1), p0.oo)
159
            # N^6: O^5V^1 / N^4: O^2V^2
160
            + 4.0 * einsum("jlmc,ikmc->ijkl", einsum("lb,jmbc->jlmc", u1, t2),
161
                           einsum("ia,kmac->ikmc", u1, t2))
162
            # N^4: O^2V^2 / N^4: O^2V^2
163
            + 4.0 * einsum("il,jk->ijkl",
164
                           einsum("lc,ic->il", einsum("nb,lnbc->lc", u1, t2),
165
                                  einsum("ma,imac->ic", u1, t2)), d_oo)
166
            # N^5: O^3V^2 / N^4: O^2V^2
167
            + 4.0 * einsum("ik,jl->ijkl", einsum("kmnc,imnc->ik",
168
                                                 einsum("nb,kmbc->kmnc", u1, t2),
169
                                                 einsum("na,imac->imnc", u1, t2)),
170
                           d_oo)
171
            # N^5: O^3V^2 / N^4: O^2V^2
172
            + 2.0 * einsum("ik,jl->ijkl",
173
                           einsum("inbc,knbc->ik",
174
                                  einsum("mn,imbc->inbc",
175
                                         einsum("ia,la->il", u1, u1), t2), t2),
176
                           d_oo)
177
        ).antisymmetrise(0, 1).antisymmetrise(2, 3)
178
        + (
179
            # N^5: O^3V^2 / N^4: O^2V^2
180
            + 4.0 * einsum("iklb,jb->ijkl",
181
                           einsum("ic,klbc->iklb", einsum("ma,imac->ic", u1, t2),
182
                                  t2), u1)
183
            # N^6: O^4V^2 / N^4: O^2V^2
184
            + 2.0 * einsum("jklm,im->ijkl",
185
                           einsum("jmbc,klbc->jklm", t2, t2),
186
                           einsum("ia,la->il", u1, u1))
187
        ).antisymmetrise(0, 1).symmetrise([(0, 2), (1, 3)])
188
        + (
189
            # N^4: O^4 / N^4: O^4
190
            + 4.0 * einsum("il,jk->ijkl", einsum("im,lm->il",
191
                                                 einsum("ia,la->il", u1, u1),
192
                                                 p0.oo), d_oo)
193
            # N^4: O^2V^2 / N^4: O^2V^2
194
            + 4.0 * einsum("ik,jl->ijkl",
195
                           einsum("kb,ib->ik",
196
                                  einsum("mc,kmbc->kb",
197
                                         einsum("na,mnac->mc", u1, t2), t2), u1),
198
                           d_oo)
199
        ).antisymmetrise(0, 1).antisymmetrise(2, 3).symmetrise([(0, 2), (1, 3)])
200
    )
201
    dm.ooov += (
2✔
202
        # N^6: O^4V^2 / N^4: O^2V^2
203
        + 1.0 * einsum("ijkl,la->ijka", einsum("klbc,ijbc->ijkl", u2, t2), u1)
204
        # N^5: O^3V^2 / N^4: O^2V^2
205
        + 2.0 * einsum("kb,ijab->ijka", einsum("lc,klbc->kb", u1, u2), t2)
206
        + (
207
            # N^5: O^3V^2 / N^4: O^2V^2
208
            + 2.0 * einsum("jk,ia->ijka", einsum("klbc,jlbc->jk", u2, t2), u1)
209
            # N^6: O^4V^2 / N^4: O^2V^2
210
            - 4.0 * einsum("jklb,ilab->ijka", einsum("jc,klbc->jklb", u1, u2), t2)
211
            # N^5: O^3V^2 / N^4: O^2V^2
212
            + 2.0 * einsum("ja,ik->ijka",
213
                           einsum("jlmb,lmab->ja",
214
                                  einsum("jc,lmbc->jlmb", u1, u2), t2), d_oo)
215
            # N^4: O^2V^2 / N^4: O^2V^2
216
            - 4.0 * einsum("ia,jk->ijka",
217
                           einsum("lb,ilab->ia",
218
                                  einsum("mc,lmbc->lb", u1, u2), t2), d_oo)
219
            # N^5: O^3V^2 / N^4: O^2V^2
220
            + 2.0 * einsum("ia,jk->ijka",
221
                           einsum("il,la->ia",
222
                                  einsum("lmbc,imbc->il", u2, t2), u1), d_oo)
223
            # N^4: O^3V^1 / N^4: O^3V^1
224
            + 2.0 * einsum("jk,ia->ijka", einsum("kb,jb->jk", u1, p0.ov), u1)
225
            # N^4: O^3V^1 / N^4: O^3V^1
226
            + 2.0 * einsum("jk,ia->ijka", einsum("jb,kb->jk", u1, u1), p0.ov)
227
            # N^4: O^3V^1 / N^4: O^3V^1
228
            + 2.0 * einsum("ia,jk->ijka",
229
                           einsum("il,la->ia",
230
                                  einsum("lb,ib->il", u1, p0.ov), u1), d_oo)
231
            # N^4: O^3V^1 / N^4: O^3V^1
232
            + 2.0 * einsum("ia,jk->ijka",
233
                           einsum("il,la->ia", einsum("ia,la->il", u1, u1),
234
                                  p0.ov), d_oo)
235
        ).antisymmetrise(0, 1)
236
    )
237
    dm.oovv += (
2✔
238
        # N^4: O^2V^2 / N^4: O^2V^2
239
        + 4.0 * einsum("ib,ja->ijab",
240
                       einsum("kc,ikbc->ib", u1, td2),
241
                       u1).antisymmetrise(0, 1).antisymmetrise(2, 3)
242
        # N^5: O^3V^2 / N^4: O^2V^2
243
        + 2.0 * einsum("ijka,kb->ijab",
244
                       einsum("kc,ijac->ijka", u1, td2), u1).antisymmetrise(2, 3)
245
        # N^5: O^3V^2 / N^4: O^2V^2
246
        + 2.0 * einsum("jk,ikab->ijab", einsum("jc,kc->jk", u1, u1), td2)
247
    )
248
    dm.ovov += (
2✔
249
        # N^6: O^3V^3 / N^4: O^2V^2
250
        - 4.0 * einsum("jkac,ikbc->iajb", u2, u2)
251
        # N^5: O^2V^3 / N^4: O^2V^2
252
        + 2.0 * einsum("ab,ij->iajb", einsum("klac,klbc->ab", u2, u2), d_oo)
253
        # N^6: O^4V^2 / N^4: O^2V^2
254
        + 1.0 * einsum("iklb,jkla->iajb", einsum("ld,ikbd->iklb", u1, t2),
255
                       einsum("lc,jkac->jkla", u1, t2))
256
        # N^4: O^2V^2 / N^4: O^2V^2
257
        + 1.0 * einsum("ab,ij->iajb", einsum("ka,kb->ab", u1, u1), p0.oo)
258
        # N^4: O^2V^2 / N^4: O^2V^2
259
        - 1.0 * einsum("ij,ab->iajb", einsum("ic,jc->ij", u1, u1), p0.vv)
260
        # N^6: O^3V^3 / N^4: O^2V^2
261
        + 1.0 * einsum("jlac,ilbc->iajb",
262
                       einsum("kl,jkac->jlac", einsum("kd,ld->kl", u1, u1), t2), t2)
263
        # N^6: O^4V^2 / N^4: O^2V^2
264
        + 0.5 * einsum("ijla,lb->iajb",
265
                       einsum("ijkl,ka->ijla",
266
                              einsum("ikcd,jlcd->ijkl", t2, t2), u1), u1)
267
        # N^6: O^4V^2 / N^4: O^2V^2
268
        + 0.5 * einsum("jklb,ikla->iajb",
269
                       einsum("jd,klbd->jklb", u1, t2),
270
                       einsum("ic,klac->ikla", u1, t2))
271
        # N^4: O^2V^2 / N^4: O^2V^2
272
        - 1.0 * einsum("ib,ja->iajb",
273
                       einsum("kd,ikbd->ib", u1, t2), einsum("lc,jlac->ja", u1, t2))
274
        # N^5: O^2V^3 / N^4: O^2V^2
275
        + 1.0 * einsum("ab,ij->iajb",
276
                       einsum("lmad,lmbd->ab",
277
                              einsum("km,klad->lmad",
278
                                     einsum("kc,mc->km", u1, u1), t2), t2), d_oo)
279
        # N^4: O^2V^2 / N^4: O^2V^2
280
        - 1.0 * einsum("ab,ij->iajb",
281
                       einsum("lb,la->ab",
282
                              einsum("kd,klbd->lb", u1, t2),
283
                              einsum("mc,lmac->la", u1, t2)), d_oo)
284
        # N^5: O^3V^2 / N^4: O^2V^2
285
        - 0.5 * einsum("ab,ij->iajb",
286
                       einsum("klmb,klma->ab",
287
                              einsum("md,klbd->klmb", u1, t2),
288
                              einsum("mc,klac->klma", u1, t2)), d_oo)
289
        + (
290
            # N^4: O^2V^2 / N^4: O^2V^2
291
            + 1.0 * einsum("ib,ja->iajb", einsum("ic,bc->ib", u1, p0.vv), u1)
292
            # N^4: O^2V^2 / N^4: O^2V^2
293
            - 1.0 * einsum("ib,ja->iajb", einsum("kb,ik->ib", u1, p0.oo), u1)
294
            # N^5: O^3V^2 / N^4: O^2V^2
295
            + 2.0 * einsum("ijlb,la->iajb",
296
                           einsum("jc,ilbc->ijlb",
297
                                  einsum("kd,jkcd->jc", u1, t2), t2), u1)
298
            # N^5: O^3V^2 / N^4: O^2V^2
299
            + 2.0 * einsum("kb,ijka->iajb",
300
                           einsum("ld,klbd->kb", u1, t2),
301
                           einsum("ic,jkac->ijka", u1, t2))
302
            # N^6: O^4V^2 / N^4: O^2V^2
303
            - 2.0 * einsum("ijkb,ka->iajb",
304
                           einsum("jklc,ilbc->ijkb",
305
                                  einsum("kd,jlcd->jklc", u1, t2), t2), u1)
306
            # N^6: O^4V^2 / N^4: O^2V^2
307
            - 2.0 * einsum("ijlb,la->iajb",
308
                           einsum("ijkc,klbc->ijlb",
309
                                  einsum("id,jkcd->ijkc", u1, t2), t2), u1)
310
            # N^6: O^3V^3 / N^4: O^2V^2
311
            - 2.0 * einsum("ikbc,jkac->iajb",
312
                           einsum("il,klbc->ikbc",
313
                                  einsum("id,ld->il", u1, u1), t2), t2)
314
            # N^4: O^2V^2 / N^4: O^2V^2
315
            - 1.0 * einsum("ib,ja->iajb",
316
                           einsum("kc,ikbc->ib",
317
                                  einsum("ld,klcd->kc", u1, t2), t2), u1)
318
            # N^4: O^2V^2 / N^4: O^2V^2
319
            - 1.0 * einsum("ab,ij->iajb",
320
                           einsum("kb,ka->ab",
321
                                  einsum("kc,bc->kb", u1, p0.vv), u1), d_oo)
322
            # N^4: O^2V^2 / N^4: O^2V^2
323
            - 1.0 * einsum("ab,ij->iajb",
324
                           einsum("mb,ma->ab",
325
                                  einsum("ld,lmbd->mb",
326
                                         einsum("kc,klcd->ld", u1, t2),
327
                                         t2), u1), d_oo)
328
        ).symmetrise([(0, 2), (1, 3)])
329
    )
330
    dm.ovvv += (
2✔
331
        # N^6: O^3V^3 / N^4: O^1V^3
332
        + 1.0 * einsum("ijka,jkbc->iabc", einsum("id,jkad->ijka", u1, u2), t2)
333
        # N^5: O^2V^3 / N^4: O^1V^3
334
        + 2.0 * einsum("ja,ijbc->iabc", einsum("kd,jkad->ja", u1, u2), t2)
335
        + (
336
            # N^5: O^2V^3 / N^4: O^1V^3
337
            + 2.0 * einsum("ac,ib->iabc", einsum("jkad,jkcd->ac", u2, t2), u1)
338
            # N^6: O^3V^3 / N^4: O^1V^3
339
            - 4.0 * einsum("ikab,kc->iabc", einsum("jkad,ijbd->ikab", u2, t2), u1)
340
            # N^4: O^1V^3 / N^4: O^1V^3
341
            + 2.0 * einsum("ac,ib->iabc", einsum("ja,jc->ac", u1, p0.ov), u1)
342
            # N^4: O^1V^3 / N^4: O^1V^3
343
            + 2.0 * einsum("ac,ib->iabc", einsum("ja,jc->ac", u1, u1), p0.ov)
344
        ).antisymmetrise(2, 3)
345
    )
346
    dm.vvvv += (
2✔
347
        # N^6: O^2V^4 / N^4: V^4
348
        + 2 * einsum("ijab,ijcd->abcd", u2, u2)
349
        # N^6: O^2V^4 / N^4: V^4
350
        - 1 * einsum("jkab,jkcd->abcd",
351
                     einsum("ij,ikab->jkab", einsum("ie,je->ij", u1, u1), t2), t2)
352
        + (
353
            # N^4: V^4 / N^4: V^4
354
            + 4.0 * einsum("ac,bd->abcd", einsum("ia,ic->ac", u1, u1), p0.vv)
355
            # N^6: O^3V^3 / N^4: V^4
356
            + 4.0 * einsum("jabc,jd->abcd",
357
                           einsum("ijbc,ia->jabc",
358
                                  einsum("jkbe,ikce->ijbc", t2, t2), u1), u1)
359
        ).antisymmetrise(0, 1).antisymmetrise(2, 3)
360
        + (
361
            # N^5: O^1V^4 / N^4: V^4
362
            + 4.0 * einsum("ka,kbcd->abcd",
363
                           einsum("ie,ikae->ka", u1, t2),
364
                           einsum("jb,jkcd->kbcd", u1, t2))
365
            # N^6: O^3V^3 / N^4: V^4
366
            + 2.0 * einsum("ibcd,ia->abcd",
367
                           einsum("ijkb,jkcd->ibcd",
368
                                  einsum("ie,jkbe->ijkb", u1, t2), t2), u1)
369
        ).antisymmetrise(0, 1).symmetrise([(0, 2), (1, 3)])
370
    )
371
    return dm
2✔
372

373

374
def diffdm_isr2_2p(mp: LazyMp, amplitude: AmplitudeVector,
2✔
375
                   intermediates: Intermediates) -> TwoParticleDensity:
376
    dm = diffdm_isr2d_2p(mp, amplitude, intermediates)  # Get ISR(1) result
2✔
377
    # evaluate additional contributions from the S-T block
378
    # if the vector has a triples component
379
    try:
2✔
380
        check_triples_amplitudes([b.o, b.o, b.o, b.v, b.v, b.v], amplitude)
2✔
381
    except ValueError:
2✔
382
        return dm
2✔
NEW
383
    u1, u3 = amplitude.ph, amplitude.ppphhh
×
384
    # N^6: O^3V^3 / N^6: O^3V^3
NEW
385
    dm.oovv += - 6 * einsum("kc,ijkabc->ijab", u1, u3)
×
NEW
386
    return dm
×
387

388

389
# dict controlling the dispatch of the state_diffdm function
390
DISPATCH = {
2✔
391
    "isr0": diffdm_isr0_2p,
392
    "isr1s": diffdm_isr1s_2p,
393
    "isr1": diffdm_isr1_2p,
394
    "isr2d": diffdm_isr2d_2p,
395
    "isr2": diffdm_isr2_2p,
396
}
397

398

399
def state_diffdm_2p(method: Union[str, IsrMethod], ground_state: LazyMp,
2✔
400
                    amplitude: AmplitudeVector,
401
                    intermediates: Optional[Intermediates] = None):
402
    """
403
    Compute the two-particle difference density matrix of an excited state
404
    in the MO basis.
405

406
    Parameters
407
    ----------
408
    method : str, IsrMethod
409
        The method to use for the computation (e.g. "isr2")
410
    ground_state : LazyMp
411
        The ground state upon which the excitation was based
412
    amplitude : AmplitudeVector
413
        The amplitude vector
414
    intermediates : adcc.Intermediates
415
        Intermediates from the ADC calculation to reuse
416
    """
417
    if not isinstance(method, IsrMethod):
2!
418
        method = IsrMethod(method)
×
419
    if not isinstance(ground_state, LazyMp):
2!
420
        raise TypeError("ground_state should be a LazyMp object.")
×
421
    if not isinstance(amplitude, AmplitudeVector):
2!
422
        raise TypeError("amplitude should be an AmplitudeVector object.")
×
423
    if intermediates is None:
2✔
424
        intermediates = Intermediates(ground_state)
2✔
425

426
    if method.name not in DISPATCH:
2!
427
        raise NotImplementedError("state_diffdm_2p is not implemented "
×
428
                                  f"for {method.name}.")
429
    else:
430
        ret = DISPATCH[method.name](ground_state, amplitude, intermediates)
2✔
431
        return ret.evaluate()
2✔
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