# # ----- charge response kernel for monomer A, K^{A}_{i,j} ----- # #j\i 1 2 3 4 5 1 -0.4149651000D+01 0.9245640000D+00 0.1956897000D+01 -0.1654392000D+01 0.3792570000D+00 2 0.9245640000D+00 -0.5739600000D+01 0.3776320000D+00 0.2874052000D+01 -0.1172382000D+01 3 0.1956897000D+01 0.3776320000D+00 -0.4927476000D+01 0.8354310000D+00 0.6317690000D+00 4 -0.1654392000D+01 0.2874052000D+01 0.8354310000D+00 -0.6104792000D+01 0.1202608000D+01 5 0.3792570000D+00 -0.1172382000D+01 0.6317690000D+00 0.1202608000D+01 -0.5018210000D+01 6 0.6528670000D+00 -0.5972110000D+00 -0.4985400000D+00 0.2318648000D+01 -0.1582000000D-02 7 -0.7681090000D+00 0.6998890000D+00 0.7185470000D+00 -0.1935408000D+01 0.2348525000D+01 8 0.6030880000D+00 -0.4691560000D+00 -0.8293350000D+00 0.1329201000D+01 -0.1335918000D+01 9 0.1555443000D+01 -0.4302000000D-01 0.1847280000D+00 0.2152435000D+01 0.1078705000D+01 10 -0.1364500000D-01 0.1643682000D+01 0.5422270000D+00 -0.7338560000D+00 0.2229540000D+00 11 -0.3663740000D+00 0.5490380000D+00 0.1531594000D+01 0.8944600000D-01 0.4390300000D-01 12 -0.2436360000D+00 0.2234920000D+00 0.5436600000D-01 0.4254700000D-01 0.1529859000D+01 13 -0.1107350000D+00 0.2572460000D+00 -0.1413800000D-01 -0.5589950000D+00 0.5206660000D+00 14 0.6574200000D-01 0.1774900000D-01 -0.5692000000D-01 0.1143110000D+00 -0.4383410000D+00 15 0.1168684000D+01 0.4540250000D+00 -0.5067830000D+00 0.2876400000D-01 0.8186000000D-02 #j\i 6 7 8 9 10 1 0.6528670000D+00 -0.7681090000D+00 0.6030880000D+00 0.1555443000D+01 -0.1364500000D-01 2 -0.5972110000D+00 0.6998890000D+00 -0.4691560000D+00 -0.4302000000D-01 0.1643682000D+01 3 -0.4985400000D+00 0.7185470000D+00 -0.8293350000D+00 0.1847280000D+00 0.5422270000D+00 4 0.2318648000D+01 -0.1935408000D+01 0.1329201000D+01 0.2152435000D+01 -0.7338560000D+00 5 -0.1582000000D-02 0.2348525000D+01 -0.1335918000D+01 0.1078705000D+01 0.2229540000D+00 6 -0.4501570000D+01 0.5401160000D+00 0.8063290000D+00 -0.1129854000D+01 0.2278560000D+00 7 0.5401160000D+00 -0.6096282000D+01 0.2641153000D+01 0.6835260000D+00 -0.1623580000D+00 8 0.8063290000D+00 0.2641153000D+01 -0.5041898000D+01 0.1960101000D+01 0.1833330000D+00 9 -0.1129854000D+01 0.6835260000D+00 0.1960101000D+01 -0.6090000000D+01 -0.5613900000D-01 10 0.2278560000D+00 -0.1623580000D+00 0.1833330000D+00 -0.5613900000D-01 -0.1625949000D+01 11 0.2390200000D-01 -0.2277860000D+00 0.2513640000D+00 -0.2716450000D+00 -0.1191780000D+00 12 0.5150090000D+00 -0.5155370000D+00 0.2454280000D+00 -0.2263140000D+00 -0.3467400000D-01 13 0.1443661000D+01 0.3433740000D+00 -0.2880190000D+00 0.1641650000D+00 -0.5530300000D-01 14 0.3316320000D+00 0.1654646000D+01 -0.7985000000D-02 -0.1528930000D+00 0.1864700000D-01 15 -0.1312630000D+00 0.7570300000D-01 -0.4768500000D-01 0.1907620000D+00 -0.3759600000D-01 #j\i 11 12 13 14 15 1 -0.3663740000D+00 -0.2436360000D+00 -0.1107350000D+00 0.6574200000D-01 0.1168684000D+01 2 0.5490380000D+00 0.2234920000D+00 0.2572460000D+00 0.1774900000D-01 0.4540250000D+00 3 0.1531594000D+01 0.5436600000D-01 -0.1413800000D-01 -0.5692000000D-01 -0.5067830000D+00 4 0.8944600000D-01 0.4254700000D-01 -0.5589950000D+00 0.1143110000D+00 0.2876400000D-01 5 0.4390300000D-01 0.1529859000D+01 0.5206660000D+00 -0.4383410000D+00 0.8186000000D-02 6 0.2390200000D-01 0.5150090000D+00 0.1443661000D+01 0.3316320000D+00 -0.1312630000D+00 7 -0.2277860000D+00 -0.5155370000D+00 0.3433740000D+00 0.1654646000D+01 0.7570300000D-01 8 0.2513640000D+00 0.2454280000D+00 -0.2880190000D+00 -0.7985000000D-02 -0.4768500000D-01 9 -0.2716450000D+00 -0.2263140000D+00 0.1641650000D+00 -0.1528930000D+00 0.1907620000D+00 10 -0.1191780000D+00 -0.3467400000D-01 -0.5530300000D-01 0.1864700000D-01 -0.3759600000D-01 11 -0.1676851000D+01 0.3910000000D-02 0.3580400000D-01 0.4873500000D-01 0.8413800000D-01 12 0.3910000000D-02 -0.1695106000D+01 -0.7113800000D-01 0.9851100000D-01 0.7328200000D-01 13 0.3580400000D-01 -0.7113800000D-01 -0.1679032000D+01 -0.2663500000D-01 0.3907800000D-01 14 0.4873500000D-01 0.9851100000D-01 -0.2663500000D-01 -0.1675216000D+01 0.8017000000D-02 15 0.8413800000D-01 0.7328200000D-01 0.3907800000D-01 0.8017000000D-02 -0.1407312000D+01 # # -------------------------------------------------------------------------------------------- # # ----- charge response kernel for monomer A*, K^{A*}_{i,j} ----- # #j\i 1 2 3 4 5 1 -0.4223218000D+01 0.1364743000D+01 0.1755212000D+01 -0.1735830000D+01 0.4141560000D+00 2 0.1364743000D+01 -0.5497697000D+01 -0.7730000000D-03 0.2945630000D+01 -0.1322261000D+01 3 0.1755212000D+01 -0.7730000000D-03 -0.4187468000D+01 0.7478010000D+00 0.5904550000D+00 4 -0.1735830000D+01 0.2945630000D+01 0.7478010000D+00 -0.6410884000D+01 0.1315075000D+01 5 0.4141560000D+00 -0.1322261000D+01 0.5904550000D+00 0.1315075000D+01 -0.6964457000D+01 6 0.5955430000D+00 -0.6383080000D+00 -0.4379420000D+00 0.2534072000D+01 0.7833010000D+00 7 -0.6704780000D+00 0.5762970000D+00 0.6748930000D+00 -0.1984642000D+01 0.2618586000D+01 8 0.5289020000D+00 -0.5227770000D+00 -0.6861580000D+00 0.1421674000D+01 -0.1052295000D+01 9 0.1578242000D+01 -0.3766400000D-01 0.1815230000D+00 0.2303791000D+01 0.1315457000D+01 10 0.3219000000D-02 0.1514969000D+01 0.3600530000D+00 -0.6978810000D+00 0.3393070000D+00 11 -0.3444300000D+00 0.5610200000D+00 0.1414129000D+01 0.4840700000D-01 0.6087500000D-01 12 -0.1995820000D+00 0.2352090000D+00 0.1127500000D-01 0.5467500000D-01 0.1876942000D+01 13 -0.1643370000D+00 0.3062770000D+00 0.1673700000D-01 -0.5572280000D+00 0.7142550000D+00 14 0.9482600000D-01 -0.1934600000D-01 -0.6463400000D-01 0.9165700000D-01 -0.6893060000D+00 15 0.1003032000D+01 0.5346800000D+00 -0.3751040000D+00 -0.7631800000D-01 -0.9000000000D-04 #j\i 6 7 8 9 10 1 0.5955430000D+00 -0.6704780000D+00 0.5289020000D+00 0.1578242000D+01 0.3219000000D-02 2 -0.6383080000D+00 0.5762970000D+00 -0.5227770000D+00 -0.3766400000D-01 0.1514969000D+01 3 -0.4379420000D+00 0.6748930000D+00 -0.6861580000D+00 0.1815230000D+00 0.3600530000D+00 4 0.2534072000D+01 -0.1984642000D+01 0.1421674000D+01 0.2303791000D+01 -0.6978810000D+00 5 0.7833010000D+00 0.2618586000D+01 -0.1052295000D+01 0.1315457000D+01 0.3393070000D+00 6 -0.5415983000D+01 0.9205130000D+00 0.5210680000D+00 -0.1248687000D+01 0.1947580000D+00 7 0.9205130000D+00 -0.6695850000D+01 0.2700598000D+01 0.6153430000D+00 -0.1688510000D+00 8 0.5210680000D+00 0.2700598000D+01 -0.5271122000D+01 0.2037437000D+01 0.1672110000D+00 9 -0.1248687000D+01 0.6153430000D+00 0.2037437000D+01 -0.6329206000D+01 -0.1239100000D-01 10 0.1947580000D+00 -0.1688510000D+00 0.1672110000D+00 -0.1239100000D-01 -0.1496455000D+01 11 0.2679300000D-01 -0.2313250000D+00 0.2319700000D+00 -0.2508970000D+00 -0.8264500000D-01 12 0.3560540000D+00 -0.6017460000D+00 0.2424600000D+00 -0.2924770000D+00 -0.4600100000D-01 13 0.1299758000D+01 0.4864180000D+00 -0.3579340000D+00 0.1442390000D+00 -0.6110200000D-01 14 0.5892430000D+00 0.1656314000D+01 0.1410800000D-01 -0.1233840000D+00 0.3187100000D-01 15 -0.8018300000D-01 0.1039290000D+00 0.2485900000D-01 0.1186730000D+00 -0.4606200000D-01 #j\i 11 12 13 14 15 1 -0.3444300000D+00 -0.1995820000D+00 -0.1643370000D+00 0.9482600000D-01 0.1003032000D+01 2 0.5610200000D+00 0.2352090000D+00 0.3062770000D+00 -0.1934600000D-01 0.5346800000D+00 3 0.1414129000D+01 0.1127500000D-01 0.1673700000D-01 -0.6463400000D-01 -0.3751040000D+00 4 0.4840700000D-01 0.5467500000D-01 -0.5572280000D+00 0.9165700000D-01 -0.7631800000D-01 5 0.6087500000D-01 0.1876942000D+01 0.7142550000D+00 -0.6893060000D+00 -0.9000000000D-04 6 0.2679300000D-01 0.3560540000D+00 0.1299758000D+01 0.5892430000D+00 -0.8018300000D-01 7 -0.2313250000D+00 -0.6017460000D+00 0.4864180000D+00 0.1656314000D+01 0.1039290000D+00 8 0.2319700000D+00 0.2424600000D+00 -0.3579340000D+00 0.1410800000D-01 0.2485900000D-01 9 -0.2508970000D+00 -0.2924770000D+00 0.1442390000D+00 -0.1233840000D+00 0.1186730000D+00 10 -0.8264500000D-01 -0.4600100000D-01 -0.6110200000D-01 0.3187100000D-01 -0.4606200000D-01 11 -0.1568305000D+01 -0.2040000000D-02 0.2792500000D-01 0.4662700000D-01 0.6189500000D-01 12 -0.2040000000D-02 -0.1752148000D+01 -0.8862900000D-01 0.1398780000D+00 0.6612800000D-01 13 0.2792500000D-01 -0.8862900000D-01 -0.1823891000D+01 0.1875900000D-01 0.3875300000D-01 14 0.4662700000D-01 0.1398780000D+00 0.1875900000D-01 -0.1777127000D+01 -0.9485000000D-02 15 0.6189500000D-01 0.6612800000D-01 0.3875300000D-01 -0.9485000000D-02 -0.1364708000D+01 # # -------------------------------------------------------------------------------------------- # # ----- charge response kernel for monomer T, K^{T}_{i,j} ----- # #j\i 1 2 3 4 5 1 -0.5277656000D+01 0.2735941000D+01 0.8248650000D+00 -0.1374820000D+01 0.4781600000D-01 2 0.2735941000D+01 -0.6918968000D+01 0.1012539000D+01 0.2368774000D+01 -0.7791950000D+00 3 0.8248650000D+00 0.1012539000D+01 -0.5122208000D+01 0.1151874000D+01 0.5397660000D+00 4 -0.1374820000D+01 0.2368774000D+01 0.1151874000D+01 -0.6468666000D+01 0.1548242000D+01 5 0.4781600000D-01 -0.7791950000D+00 0.5397660000D+00 0.1548242000D+01 -0.4834692000D+01 6 0.4222360000D+00 -0.3803280000D+00 -0.4976380000D+00 0.2348489000D+01 -0.3837210000D+00 7 -0.9867590000D+00 0.8791080000D+00 0.1986980000D+00 -0.1914988000D+01 0.2224050000D+01 8 0.1136046000D+01 -0.1179991000D+01 0.1837000000D+00 0.1357106000D+01 -0.1263449000D+01 9 0.2929249000D+01 -0.5833970000D+00 -0.1173960000D+00 0.1944521000D+01 0.1173297000D+01 10 -0.1727320000D+00 0.1804554000D+01 0.4501720000D+00 -0.5762570000D+00 0.1819730000D+00 11 -0.3614970000D+00 0.5136320000D+00 0.1510576000D+01 0.3706700000D-01 -0.3307700000D-01 12 -0.1514800000D-01 0.1244360000D+00 0.5222100000D-01 0.8851200000D-01 0.1520148000D+01 13 0.3942400000D-01 0.1330020000D+00 0.6832100000D-01 -0.5885150000D+00 0.4686080000D+00 14 0.1641590000D+00 -0.4918200000D-01 0.2726400000D-01 0.1677620000D+00 -0.4110460000D+00 15 -0.1111250000D+00 0.3190760000D+00 -0.2827530000D+00 -0.8910100000D-01 0.1280000000D-02 #j\i 6 7 8 9 10 1 0.4222360000D+00 -0.9867590000D+00 0.1136046000D+01 0.2929249000D+01 -0.1727320000D+00 2 -0.3803280000D+00 0.8791080000D+00 -0.1179991000D+01 -0.5833970000D+00 0.1804554000D+01 3 -0.4976380000D+00 0.1986980000D+00 0.1837000000D+00 -0.1173960000D+00 0.4501720000D+00 4 0.2348489000D+01 -0.1914988000D+01 0.1357106000D+01 0.1944521000D+01 -0.5762570000D+00 5 -0.3837210000D+00 0.2224050000D+01 -0.1263449000D+01 0.1173297000D+01 0.1819730000D+00 6 -0.4408627000D+01 0.7473070000D+00 0.1329815000D+01 -0.1335635000D+01 0.1499610000D+00 7 0.7473070000D+00 -0.4817250000D+01 0.5226300000D+00 0.1810093000D+01 -0.1649550000D+00 8 0.1329815000D+01 0.5226300000D+00 -0.3751750000D+01 0.3552210000D+00 0.2227630000D+00 9 -0.1335635000D+01 0.1810093000D+01 0.3552210000D+00 -0.5874511000D+01 -0.6488900000D-01 10 0.1499610000D+00 -0.1649550000D+00 0.2227630000D+00 -0.6488900000D-01 -0.1680732000D+01 11 0.2645600000D-01 -0.9009300000D-01 0.1840700000D-01 0.2621000000D-02 -0.1129020000D+00 12 0.4647620000D+00 -0.4999750000D+00 0.4947000000D-01 -0.2073670000D+00 -0.9151000000D-02 13 0.1439464000D+01 0.3361330000D+00 -0.2358140000D+00 0.4252800000D-01 -0.3235400000D-01 14 0.3824340000D+00 0.1403124000D+01 0.1870200000D+00 -0.3747220000D+00 0.3000400000D-01 15 -0.3049760000D+00 0.3528760000D+00 0.1068828000D+01 0.3003840000D+00 -0.2545500000D-01 #j\i 11 12 13 14 15 1 -0.3614970000D+00 -0.1514800000D-01 0.3942400000D-01 0.1641590000D+00 -0.1111250000D+00 2 0.5136320000D+00 0.1244360000D+00 0.1330020000D+00 -0.4918200000D-01 0.3190760000D+00 3 0.1510576000D+01 0.5222100000D-01 0.6832100000D-01 0.2726400000D-01 -0.2827530000D+00 4 0.3706700000D-01 0.8851200000D-01 -0.5885150000D+00 0.1677620000D+00 -0.8910100000D-01 5 -0.3307700000D-01 0.1520148000D+01 0.4686080000D+00 -0.4110460000D+00 0.1280000000D-02 6 0.2645600000D-01 0.4647620000D+00 0.1439464000D+01 0.3824340000D+00 -0.3049760000D+00 7 -0.9009300000D-01 -0.4999750000D+00 0.3361330000D+00 0.1403124000D+01 0.3528760000D+00 8 0.1840700000D-01 0.4947000000D-01 -0.2358140000D+00 0.1870200000D+00 0.1068828000D+01 9 0.2621000000D-02 -0.2073670000D+00 0.4252800000D-01 -0.3747220000D+00 0.3003840000D+00 10 -0.1129020000D+00 -0.9151000000D-02 -0.3235400000D-01 0.3000400000D-01 -0.2545500000D-01 11 -0.1670525000D+01 0.2188500000D-01 0.3204000000D-01 0.2301200000D-01 0.8239700000D-01 12 0.2188500000D-01 -0.1694504000D+01 -0.6159800000D-01 0.9206700000D-01 0.7424100000D-01 13 0.3204000000D-01 -0.6159800000D-01 -0.1652810000D+01 -0.4341200000D-01 0.5498300000D-01 14 0.2301200000D-01 0.9206700000D-01 -0.4341200000D-01 -0.1580105000D+01 -0.1838000000D-01 15 0.8239700000D-01 0.7424100000D-01 0.5498300000D-01 -0.1838000000D-01 -0.1422276000D+01 # # -------------------------------------------------------------------------------------------- # # ----- charge response kernel for monomer T*, K^{T*}_{i,j} ----- # #j\i 1 2 3 4 5 1 -0.5434450000D+01 0.3444941000D+01 0.1220288000D+01 -0.1435909000D+01 0.1738050000D+00 2 0.3444941000D+01 -0.6608848000D+01 0.4276400000D-01 0.2251102000D+01 -0.9729290000D+00 3 0.1220288000D+01 0.4276400000D-01 -0.4094227000D+01 0.1100151000D+01 0.4056490000D+00 4 -0.1435909000D+01 0.2251102000D+01 0.1100151000D+01 -0.5978489000D+01 0.1420056000D+01 5 0.1738050000D+00 -0.9729290000D+00 0.4056490000D+00 0.1420056000D+01 -0.5500381000D+01 6 0.4069650000D+00 -0.4796290000D+00 -0.4623530000D+00 0.2319360000D+01 -0.1710800000D+00 7 -0.8501770000D+00 0.7321410000D+00 0.1587600000D+00 -0.1913049000D+01 0.2548508000D+01 8 0.8093610000D+00 -0.9667950000D+00 0.1560500000D-01 0.1370574000D+01 -0.1086547000D+01 9 0.2344929000D+01 -0.3602180000D+00 -0.8028300000D-01 0.2011657000D+01 0.1108303000D+01 10 -0.2327180000D+00 0.1817680000D+01 0.2953950000D+00 -0.5692300000D+00 0.2024600000D+00 11 -0.4645510000D+00 0.6045070000D+00 0.1504237000D+01 -0.3073200000D-01 0.4374500000D-01 12 -0.1692000000D-02 0.1314120000D+00 0.5939000000D-02 0.1968200000D-01 0.1784385000D+01 13 -0.6427900000D-01 0.2240230000D+00 0.7652700000D-01 -0.5955490000D+00 0.5074820000D+00 14 0.1983100000D+00 -0.1014260000D+00 0.2758200000D-01 0.1921220000D+00 -0.4436900000D+00 15 -0.1148230000D+00 0.2412740000D+00 -0.2160330000D+00 -0.1617450000D+00 -0.1976800000D-01 #j\i 6 7 8 9 10 1 0.4069650000D+00 -0.8501770000D+00 0.8093610000D+00 0.2344929000D+01 -0.2327180000D+00 2 -0.4796290000D+00 0.7321410000D+00 -0.9667950000D+00 -0.3602180000D+00 0.1817680000D+01 3 -0.4623530000D+00 0.1587600000D+00 0.1560500000D-01 -0.8028300000D-01 0.2953950000D+00 4 0.2319360000D+01 -0.1913049000D+01 0.1370574000D+01 0.2011657000D+01 -0.5692300000D+00 5 -0.1710800000D+00 0.2548508000D+01 -0.1086547000D+01 0.1108303000D+01 0.2024600000D+00 6 -0.4716237000D+01 0.9354910000D+00 0.1319893000D+01 -0.1340515000D+01 0.1554590000D+00 7 0.9354910000D+00 -0.5088890000D+01 0.3563160000D+00 0.1747123000D+01 -0.1540080000D+00 8 0.1319893000D+01 0.3563160000D+00 -0.3486863000D+01 0.2875860000D+00 0.2115470000D+00 9 -0.1340515000D+01 0.1747123000D+01 0.2875860000D+00 -0.5429930000D+01 0.3824900000D-01 10 0.1554590000D+00 -0.1540080000D+00 0.2115470000D+00 0.3824900000D-01 -0.1632335000D+01 11 0.5078700000D-01 -0.1185460000D+00 0.4204300000D-01 -0.4363500000D-01 -0.9587500000D-01 12 0.4484550000D+00 -0.5378720000D+00 0.4211300000D-01 -0.2803280000D+00 -0.8698000000D-02 13 0.1415759000D+01 0.3565500000D+00 -0.1864750000D+00 0.6843300000D-01 -0.3077600000D-01 14 0.4398310000D+00 0.1413246000D+01 0.1744810000D+00 -0.4012860000D+00 0.2610800000D-01 15 -0.3221880000D+00 0.4144050000D+00 0.1097159000D+01 0.3299160000D+00 -0.2325700000D-01 #j\i 11 12 13 14 15 1 -0.4645510000D+00 -0.1692000000D-02 -0.6427900000D-01 0.1983100000D+00 -0.1148230000D+00 2 0.6045070000D+00 0.1314120000D+00 0.2240230000D+00 -0.1014260000D+00 0.2412740000D+00 3 0.1504237000D+01 0.5939000000D-02 0.7652700000D-01 0.2758200000D-01 -0.2160330000D+00 4 -0.3073200000D-01 0.1968200000D-01 -0.5955490000D+00 0.1921220000D+00 -0.1617450000D+00 5 0.4374500000D-01 0.1784385000D+01 0.5074820000D+00 -0.4436900000D+00 -0.1976800000D-01 6 0.5078700000D-01 0.4484550000D+00 0.1415759000D+01 0.4398310000D+00 -0.3221880000D+00 7 -0.1185460000D+00 -0.5378720000D+00 0.3565500000D+00 0.1413246000D+01 0.4144050000D+00 8 0.4204300000D-01 0.4211300000D-01 -0.1864750000D+00 0.1744810000D+00 0.1097159000D+01 9 -0.4363500000D-01 -0.2803280000D+00 0.6843300000D-01 -0.4012860000D+00 0.3299160000D+00 10 -0.9587500000D-01 -0.8698000000D-02 -0.3077600000D-01 0.2610800000D-01 -0.2325700000D-01 11 -0.1616176000D+01 0.1069500000D-01 0.1605200000D-01 0.2697400000D-01 0.7047600000D-01 12 0.1069500000D-01 -0.1713258000D+01 -0.9704800000D-01 0.1134170000D+00 0.8279600000D-01 13 0.1605200000D-01 -0.9704800000D-01 -0.1707449000D+01 -0.3050600000D-01 0.4725400000D-01 14 0.2697400000D-01 0.1134170000D+00 -0.3050600000D-01 -0.1614639000D+01 -0.2052300000D-01 15 0.7047600000D-01 0.8279600000D-01 0.4725400000D-01 -0.2052300000D-01 -0.1404945000D+01