diff --git a/output/eom_ucssd_eighth_triplet_excitation b/output/eom_ucssd_eighth_triplet_excitation index 9106ee0..e218e1e 100644 --- a/output/eom_ucssd_eighth_triplet_excitation +++ b/output/eom_ucssd_eighth_triplet_excitation @@ -1,89 +1,44 @@ -27.6846 27.3811 -26.6054 26.4027 -25.6113 25.4533 -24.0573 23.8525 -22.5964 22.3141 -21.3188 20.9351 -20.2243 19.6581 -19.2876 19.4843 -18.4862 19.4073 -18.2562 19.4172 -18.2642 19.5056 -18.3391 19.5840 -18.4700 19.0636 -18.6427 18.6681 -18.8412 18.3771 -19.0499 18.1681 -19.2550 18.0136 -19.4459 17.8839 -19.6153 17.7601 -19.7589 17.6428 -19.8754 17.5453 -19.9655 17.4801 -20.0313 17.4537 -20.0758 17.4664 -20.1025 17.5156 -20.1149 17.5963 -20.1160 17.7029 -20.1089 17.8289 -20.0959 17.9675 -20.0790 18.1117 -20.0598 18.2555 -20.0395 18.3938 -20.0189 18.5229 -19.9986 18.6407 -19.9791 18.7465 -19.9607 18.8408 -19.9435 18.9246 -19.9275 18.9997 -19.9129 19.0679 -19.8995 19.1308 -19.8874 19.1898 -19.8765 19.2460 -19.8667 19.3004 -19.8579 19.3533 -19.8501 diff --git a/output/eom_ucssd_fifth_triplet_excitation b/output/eom_ucssd_fifth_triplet_excitation index 134b71a..8cc69c1 100644 --- a/output/eom_ucssd_fifth_triplet_excitation +++ b/output/eom_ucssd_fifth_triplet_excitation @@ -1,89 +1,44 @@ -22.8892 23.5112 -21.7867 22.4640 -20.8683 21.5967 -20.0350 20.4716 -18.7913 19.2943 -17.7514 18.3320 -16.8827 17.5513 -16.1506 16.9157 -15.5289 16.0769 -15.0989 15.6505 -14.9500 15.4457 -14.8306 15.3091 -14.7312 15.1480 -14.6442 14.9762 -14.5668 14.8422 -14.5000 14.6937 -14.4419 14.5869 -14.3839 14.5303 -14.3115 14.5102 -14.2113 14.5066 -14.0788 14.4568 -13.9196 14.4005 -13.7444 14.3381 -13.5638 14.2720 -13.3864 14.2059 -13.2182 14.1428 -13.0629 14.0853 -12.9228 14.0346 -12.7992 13.9915 -12.6926 13.9561 -12.6030 13.9281 -12.5301 13.9069 -12.4734 13.8919 -12.4319 13.8821 -12.4047 13.8769 -12.3904 13.8753 -12.3877 13.8766 -12.3950 13.8800 -12.4107 13.8847 -12.4332 13.8903 -12.4609 13.8962 -12.4924 13.9020 -12.5263 13.9076 -12.5613 13.9126 -12.5966 diff --git a/output/eom_ucssd_first_triplet_excitation b/output/eom_ucssd_first_triplet_excitation index 2b8bca1..544e3fc 100644 --- a/output/eom_ucssd_first_triplet_excitation +++ b/output/eom_ucssd_first_triplet_excitation @@ -1,89 +1,44 @@ -13.9868 14.3599 -12.3097 12.8068 -10.6867 11.2939 -9.1380 9.8437 -7.6843 8.4807 -6.3417 7.2256 -5.1183 6.0912 -4.0147 5.0824 -3.0258 4.1979 -2.1433 3.4320 -1.3570 2.7769 -0.6568 2.2236 -0.0329 1.7621 --0.5240 1.3824 --1.0220 1.0741 --1.4686 0.8271 --1.8700 0.6316 --2.2317 0.4788 --2.5587 0.3607 --2.8550 0.2701 --3.1243 0.2014 --3.3697 0.1495 --3.5939 0.1106 --3.7994 0.0816 --3.9881 0.0600 --4.1620 0.0440 --4.3224 0.0322 --4.4707 0.0235 --4.6081 0.0171 --4.7355 0.0125 --4.8539 0.0090 --4.9639 0.0066 --5.0663 0.0048 --5.1616 0.0034 --5.2505 0.0025 --5.3333 0.0018 --5.4105 0.0013 --5.4825 0.0009 --5.5497 0.0007 --5.6124 0.0005 --5.6710 0.0004 --5.7256 0.0003 --5.7767 0.0002 --5.8245 0.0001 --5.8691 diff --git a/output/eom_ucssd_fourth_triplet_excitation b/output/eom_ucssd_fourth_triplet_excitation index cc4f7a9..32a0c6f 100644 --- a/output/eom_ucssd_fourth_triplet_excitation +++ b/output/eom_ucssd_fourth_triplet_excitation @@ -1,89 +1,44 @@ -18.6829 18.3612 -17.9563 17.7122 -17.3435 17.1698 -16.8281 16.7178 -16.4002 16.3432 -16.0473 16.0256 -15.7523 15.7275 -15.4998 15.3533 -15.2822 14.5978 -14.9980 13.5170 -14.5425 13.5335 -14.1500 13.5894 -13.8108 13.6732 -13.5182 13.7740 -13.2667 13.8835 -13.0520 13.9951 -12.8691 14.0995 -12.7129 14.1838 -12.5787 14.2360 -12.4625 14.2513 -12.3618 14.2341 -12.2757 14.1942 -12.2041 14.1419 -12.1472 14.0856 -12.1050 14.0309 -12.0762 13.9812 -12.0583 13.9384 -12.0475 13.9031 -12.0392 13.8755 -12.0289 13.8550 -12.0123 13.8410 -11.9867 13.8327 -11.9505 13.8293 -11.9035 13.8300 -11.8467 13.8338 -11.7814 13.8401 -11.7099 13.8481 -11.6340 13.8571 -11.5559 13.8665 -11.4773 13.8760 -11.3997 13.8850 -11.3244 13.8934 -11.2524 13.9010 -11.1843 13.9076 -11.1207 diff --git a/output/eom_ucssd_ninth_triplet_excitation b/output/eom_ucssd_ninth_triplet_excitation index b89407b..b6ef1da 100644 --- a/output/eom_ucssd_ninth_triplet_excitation +++ b/output/eom_ucssd_ninth_triplet_excitation @@ -1,89 +1,44 @@ -27.6846 27.3811 -26.6054 26.4027 -25.6650 25.5469 -24.8577 24.8094 -24.1757 23.8023 -23.6096 21.2169 -23.1478 19.7244 -22.7779 19.4843 -22.4892 19.4073 -22.2747 19.4172 -22.0489 19.5056 -20.8979 19.6626 -19.8513 19.8738 -18.9237 19.4927 -18.8412 18.9903 -19.0499 18.5881 -19.2550 18.2655 -19.4459 18.0111 -19.6153 17.8192 -19.7589 17.6835 -19.8754 17.5962 -19.9655 17.5502 -20.0313 17.5399 -20.0758 17.5619 -20.1025 17.6130 -20.1149 17.6905 -20.1160 17.7905 -20.1089 17.9083 -20.0959 18.0382 -20.0790 18.1741 -20.0598 18.3103 -20.0395 18.4420 -20.0189 18.5652 -19.9986 18.6779 -19.9791 18.7790 -19.9607 18.8690 -19.9435 18.9489 -19.9275 19.0204 -19.9129 19.0853 -19.8995 19.1451 -19.8874 19.2015 -19.8765 19.2555 -19.8667 19.3079 -19.8579 19.3592 -19.8501 diff --git a/output/eom_ucssd_second_triplet_excitation b/output/eom_ucssd_second_triplet_excitation index 0473af0..f7e55bb 100644 --- a/output/eom_ucssd_second_triplet_excitation +++ b/output/eom_ucssd_second_triplet_excitation @@ -1,89 +1,44 @@ -15.6828 15.9564 -14.9250 14.8618 -14.0316 13.8665 -13.0665 12.9664 -12.1862 12.1563 -11.3841 11.4299 -10.6541 10.7820 -9.9913 10.2094 -9.3922 9.7103 -8.8538 9.2836 -8.3727 8.9277 -7.9452 8.6405 -7.5675 8.4186 -7.2354 8.2575 -6.9449 8.1520 -6.6919 8.0958 -6.4724 8.0820 -6.2828 8.1033 -6.1194 8.1526 -5.9790 8.2235 -5.8587 8.3107 -5.7559 8.4098 -5.6684 8.5175 -5.5943 8.6311 -5.5319 8.7487 -5.4797 8.8684 -5.4363 8.9890 -5.4005 9.1094 -5.3713 9.2287 -5.3476 9.3461 -5.3287 9.4612 -5.3138 9.5733 -5.3023 9.6823 -5.2938 9.7877 -5.2878 9.8895 -5.2840 9.9874 -5.2822 10.0814 -5.2820 10.1715 -5.2833 10.2576 -5.2860 10.3399 -5.2900 10.4185 -5.2952 10.4934 -5.3014 10.5648 -5.3086 10.6328 -5.3168 diff --git a/output/eom_ucssd_seventh_triplet_excitation b/output/eom_ucssd_seventh_triplet_excitation index e1f3d52..df2c967 100644 --- a/output/eom_ucssd_seventh_triplet_excitation +++ b/output/eom_ucssd_seventh_triplet_excitation @@ -1,89 +1,44 @@ -24.7008 24.9718 -23.0622 23.3894 -21.4760 21.8557 -20.1175 20.8963 -19.5181 20.3493 -19.0544 19.9415 -18.7106 19.6581 -18.4711 18.6705 -18.3227 17.7641 -18.2562 16.9967 -18.2642 16.3586 -18.3391 15.8386 -18.4700 15.4241 -18.6427 15.1049 -18.1333 15.0210 -17.5031 14.9516 -17.0603 14.8992 -16.8310 14.8618 -16.8253 14.8328 -17.0211 14.8042 -17.3636 14.7697 -17.7838 14.7264 -18.2186 14.6748 -18.6229 14.6172 -18.9712 14.5566 -19.2538 14.4955 -19.4722 14.4357 -19.6333 14.3786 -19.7466 14.3289 -19.8218 14.2856 -19.8680 14.2432 -19.8930 14.2027 -19.9030 14.1648 -19.9030 14.1300 -19.8967 14.0987 -19.8869 14.0709 -19.8755 14.0466 -19.8636 14.0258 -19.8522 14.0082 -19.8415 13.9934 -19.8319 13.9812 -19.8234 13.9713 -19.8159 13.9633 -19.8095 13.9569 -19.8040 diff --git a/output/eom_ucssd_sixth_triplet_excitation b/output/eom_ucssd_sixth_triplet_excitation index 866fdfa..e5eea1d 100644 --- a/output/eom_ucssd_sixth_triplet_excitation +++ b/output/eom_ucssd_sixth_triplet_excitation @@ -1,89 +1,44 @@ -22.8892 23.5112 -21.7867 22.4640 -20.8683 21.5967 -20.1175 20.8963 -19.5181 20.3493 -19.0544 19.9415 -18.7106 18.9916 -18.4711 17.1871 -18.3227 16.3981 -17.8012 15.9778 -17.2155 15.6382 -16.7144 15.3655 -16.2858 15.2003 -15.9202 15.1025 -15.6105 14.8623 -15.3498 14.7394 -15.1316 14.6616 -14.9487 14.6019 -14.7947 14.5529 -14.6642 14.5113 -14.5540 14.5197 -14.4626 14.5249 -14.3895 14.5212 -14.3352 14.5069 -14.2996 14.4828 -14.2816 14.4508 -14.2786 14.4131 -14.2868 14.3719 -14.3013 14.3248 -14.3168 14.2749 -14.3286 14.2289 -14.3333 14.1869 -14.3284 14.1490 -14.3131 14.1151 -14.2878 14.0852 -14.2534 14.0590 -14.2117 14.0365 -14.1645 14.0172 -14.1135 14.0011 -14.0605 13.9876 -14.0070 13.9766 -13.9542 13.9676 -13.9030 13.9604 -13.8542 13.9546 -13.8084 diff --git a/output/eom_ucssd_tenth_triplet_excitation b/output/eom_ucssd_tenth_triplet_excitation index 1c05db4..d0011ef 100644 --- a/output/eom_ucssd_tenth_triplet_excitation +++ b/output/eom_ucssd_tenth_triplet_excitation @@ -1,89 +1,44 @@ -28.4742 28.2579 -27.1239 26.9647 -25.6650 25.5469 -24.8577 24.8094 -24.1757 24.1842 -23.6096 23.6620 -23.1478 23.2314 -22.7779 22.8803 -22.4892 22.1134 -22.2747 21.0876 -22.1311 20.2512 -22.0551 19.6626 -22.0401 19.8738 -22.0760 20.1207 -21.6873 20.1799 -21.0602 19.7847 -20.5965 19.5916 -20.3170 19.6064 -20.2319 19.8135 -20.3295 20.1739 -20.5713 20.6279 -20.9004 21.1070 -20.8972 21.1407 -20.7428 20.9779 -20.6140 20.8735 -20.5067 20.8212 -20.4170 20.8144 -20.3419 20.8452 -20.2783 20.9053 -20.2242 20.9855 -20.1776 21.0769 -20.1371 21.1718 -20.1015 21.2633 -20.0700 21.3468 -20.0420 21.4194 -20.0169 21.6757 -19.9943 21.6789 -19.9740 21.6817 -19.9509 21.6844 -19.9274 21.6868 -19.9086 21.6869 -19.8931 21.6810 -19.8802 21.6778 -19.8694 21.6614 -19.8601 diff --git a/output/eom_ucssd_third_triplet_excitation b/output/eom_ucssd_third_triplet_excitation index 985a841..2cc1741 100644 --- a/output/eom_ucssd_third_triplet_excitation +++ b/output/eom_ucssd_third_triplet_excitation @@ -1,89 +1,44 @@ -16.2440 16.2776 -15.0882 15.5939 -14.2930 15.0307 -13.7722 14.5768 -13.3493 14.2221 -13.0104 13.9548 -12.7402 13.7607 -12.5246 13.6275 -12.3542 13.5473 -12.2248 13.4452 -12.1332 12.3315 -12.0733 11.3801 -12.0358 10.6003 -12.0125 9.9797 -11.9978 9.5005 -11.9862 9.1437 -11.9661 8.8905 -11.9186 8.7230 -11.8252 8.6247 -11.6800 8.5816 -11.4938 8.5812 -11.2852 8.6136 -11.0711 8.6706 -10.8637 8.7459 -10.6705 8.8344 -10.4954 8.9321 -10.3404 9.0362 -10.2061 9.1441 -10.0921 9.2539 -9.9979 9.3644 -9.9222 9.4742 -9.8641 9.5825 -9.8221 9.6886 -9.7949 9.7920 -9.7811 9.8923 -9.7791 9.9891 -9.7874 10.0824 -9.8044 10.1721 -9.8284 10.2579 -9.8580 10.3400 -9.8916 10.4185 -9.9280 10.4934 -9.9658 10.5649 -10.0041 10.6329 -10.0419