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66 | 66 | },
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67 | 67 | {
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68 | 68 | "cell_type": "code",
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69 |
| - "execution_count": 7, |
| 69 | + "execution_count": 5, |
70 | 70 | "id": "38d22aea-d558-4050-ba09-5ee910022a6e",
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71 | 71 | "metadata": {},
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72 | 72 | "outputs": [],
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84 | 84 | },
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85 | 85 | {
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86 | 86 | "cell_type": "code",
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87 |
| - "execution_count": 8, |
| 87 | + "execution_count": 6, |
88 | 88 | "id": "4069da65-755f-4fce-8a83-48a498dfabda",
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89 | 89 | "metadata": {},
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90 | 90 | "outputs": [],
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104 | 104 | },
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105 | 105 | {
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106 | 106 | "cell_type": "code",
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107 |
| - "execution_count": 9, |
| 107 | + "execution_count": 7, |
108 | 108 | "id": "9d3b7ff7-ac29-4a33-8ed8-98dca88d1c37",
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109 | 109 | "metadata": {},
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110 | 110 | "outputs": [],
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114 | 114 | },
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115 | 115 | {
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116 | 116 | "cell_type": "code",
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117 |
| - "execution_count": 10, |
| 117 | + "execution_count": 8, |
118 | 118 | "id": "e9358f1f-f98e-4581-b6e0-54308966f74f",
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119 | 119 | "metadata": {},
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120 | 120 | "outputs": [],
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124 | 124 | },
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125 | 125 | {
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126 | 126 | "cell_type": "code",
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127 |
| - "execution_count": 11, |
| 127 | + "execution_count": 9, |
128 | 128 | "id": "f86cea1c-916f-47c0-bced-a8dc7c2f7055",
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129 | 129 | "metadata": {},
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130 | 130 | "outputs": [],
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309 | 309 | },
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310 | 310 | {
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311 | 311 | "cell_type": "code",
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312 |
| - "execution_count": 31, |
| 312 | + "execution_count": 16, |
313 | 313 | "id": "eb7f7ba4-5228-41bc-bf6d-ee41211e5f81",
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314 | 314 | "metadata": {},
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315 | 315 | "outputs": [],
|
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419 | 419 | "id": "2dd4d74c-386a-4244-8422-5d022842d07f",
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420 | 420 | "metadata": {},
|
421 | 421 | "source": [
|
422 |
| - "## Advanced usage (To be updated)\n", |
| 422 | + "## Notes\n", |
423 | 423 | "\n",
|
424 |
| - "- Setting quantum number is not necessary. When quantum number is not conserved or in other cases when quantum number is not desired, we can skip this by set all to 0.\n", |
| 424 | + "Setting quantum number is not necessary. When quantum number is not conserved or for some reason quantum number conservation is not desired, set all quantum numbers to 0.\n", |
425 | 425 | "\n",
|
426 |
| - "- If quantum numbers are set incorrectly.\n", |
427 |
| - "\n", |
428 |
| - "- U(1) quantum number and more than one quantum number" |
| 426 | + "Renormalizer supports the conservation of multiple quantum numbers. For example, in *ab initio* electronic structure calculations, both the number of alpha spin electrons and the number of beta spin electrons are conserved.\n", |
| 427 | + "In such cases, quantum numbers should be set to a numpy array of integers." |
| 428 | + ] |
| 429 | + }, |
| 430 | + { |
| 431 | + "cell_type": "code", |
| 432 | + "execution_count": 20, |
| 433 | + "id": "9d3c8a36-25e8-46e6-91cd-4d520238f0df", |
| 434 | + "metadata": {}, |
| 435 | + "outputs": [], |
| 436 | + "source": [ |
| 437 | + "import numpy as np" |
| 438 | + ] |
| 439 | + }, |
| 440 | + { |
| 441 | + "cell_type": "code", |
| 442 | + "execution_count": 23, |
| 443 | + "id": "9f5fa2cf-e6e5-430a-9dc2-176237d82e5a", |
| 444 | + "metadata": {}, |
| 445 | + "outputs": [ |
| 446 | + { |
| 447 | + "data": { |
| 448 | + "text/plain": [ |
| 449 | + "Op('a^\\\\dagger', ['up'], 1.0, [[1, 0]])" |
| 450 | + ] |
| 451 | + }, |
| 452 | + "execution_count": 23, |
| 453 | + "metadata": {}, |
| 454 | + "output_type": "execute_result" |
| 455 | + } |
| 456 | + ], |
| 457 | + "source": [ |
| 458 | + "# spin up creation operator\n", |
| 459 | + "Op(r\"a^\\dagger\", \"up\", qn=np.array([1, 0]))" |
| 460 | + ] |
| 461 | + }, |
| 462 | + { |
| 463 | + "cell_type": "code", |
| 464 | + "execution_count": 24, |
| 465 | + "id": "9166c78b-15d3-4c64-a42d-5a3c37ecc4aa", |
| 466 | + "metadata": {}, |
| 467 | + "outputs": [ |
| 468 | + { |
| 469 | + "data": { |
| 470 | + "text/plain": [ |
| 471 | + "Op('a', ['up'], 1.0, [[-1, 0]])" |
| 472 | + ] |
| 473 | + }, |
| 474 | + "execution_count": 24, |
| 475 | + "metadata": {}, |
| 476 | + "output_type": "execute_result" |
| 477 | + } |
| 478 | + ], |
| 479 | + "source": [ |
| 480 | + "# spin up annihilation operator\n", |
| 481 | + "Op(r\"a\", \"up\", qn=np.array([-1, 0]))" |
| 482 | + ] |
| 483 | + }, |
| 484 | + { |
| 485 | + "cell_type": "code", |
| 486 | + "execution_count": 25, |
| 487 | + "id": "f789d3b7-46e2-4a23-b9a0-e72ed323c0e3", |
| 488 | + "metadata": {}, |
| 489 | + "outputs": [ |
| 490 | + { |
| 491 | + "data": { |
| 492 | + "text/plain": [ |
| 493 | + "Op('a^\\\\dagger', ['down'], 1.0, [[0, 1]])" |
| 494 | + ] |
| 495 | + }, |
| 496 | + "execution_count": 25, |
| 497 | + "metadata": {}, |
| 498 | + "output_type": "execute_result" |
| 499 | + } |
| 500 | + ], |
| 501 | + "source": [ |
| 502 | + "# spin down creation operator\n", |
| 503 | + "Op(r\"a^\\dagger\", \"down\", qn=np.array([0, 1]))" |
| 504 | + ] |
| 505 | + }, |
| 506 | + { |
| 507 | + "cell_type": "code", |
| 508 | + "execution_count": 26, |
| 509 | + "id": "4f023161-daa1-42f2-84ba-4d4528dd4461", |
| 510 | + "metadata": {}, |
| 511 | + "outputs": [ |
| 512 | + { |
| 513 | + "data": { |
| 514 | + "text/plain": [ |
| 515 | + "Op('a^\\\\dagger', ['down'], 1.0, [[0, -1]])" |
| 516 | + ] |
| 517 | + }, |
| 518 | + "execution_count": 26, |
| 519 | + "metadata": {}, |
| 520 | + "output_type": "execute_result" |
| 521 | + } |
| 522 | + ], |
| 523 | + "source": [ |
| 524 | + "# spin down annihilation operator\n", |
| 525 | + "Op(r\"a^\\dagger\", \"down\", qn=np.array([0, -1]))" |
429 | 526 | ]
|
| 527 | + }, |
| 528 | + { |
| 529 | + "cell_type": "code", |
| 530 | + "execution_count": null, |
| 531 | + "id": "78557796-060c-42ce-94ab-6981c862c870", |
| 532 | + "metadata": {}, |
| 533 | + "outputs": [], |
| 534 | + "source": [] |
430 | 535 | }
|
431 | 536 | ],
|
432 | 537 | "metadata": {
|
|
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