###############################################################################
#  Norm-Conserving 5f-in-Core Pseudopotentials and Gaussian Basis
#  Sets Optimized for Tri- and Tetra-Valent Actinides (An = Pa-Lr)
#  Jun-Bo Lu, Yang-Yang Zhang, Jian-Biao Liu, and Jun Li 
#  J. Chem. Theory Comput. 2025, 21, 170-182
###############################################################################

#  5f-in-core pseudopotentials for trivalent actinides (AnPP2-III):

Pa GTH-PBE-q11
    4    6    1    0
     0.62621041939339   2   10.11442250377270   4.84548431304545
    3
     0.39651611532776   3   -8.56775484785431  40.35174478223654  -24.69223500633162
                                                    -91.08044094552079    61.44475756328980
                                                                            -49.04518221588012
     0.55817047118948   3   -4.68153863772063   2.89030341694342   -1.06037309395547
                                                     -4.78278350250545    1.43168620129612
                                                                            -1.14624921075476
     0.62565360919873   2   -3.37897181977906   2.87220674402005
                                                      -3.63433417558880

U GTH-PBE-q11
    4    6    1    0
     0.62012353034126   2    9.79677952469640   4.64827136948256
    3
     0.38781271645681   3  -10.36338626703994  40.35171880934165  -24.69224112079944
                                                     -91.00547773717641  61.44475876569778
                                                                            -49.12615765674897
     0.55225258606449   3   -4.65107075582535   2.89030070320874   -1.06037000433721
                                                      -4.77891713313703   1.43168202202581
                                                                            -1.14399123941247
     0.62388577510833   2   -3.45734493903688   2.87219159689746
                                                      -3.59415006670787

Np GTH-PBE-q11
    4    6    1    0
     0.61502515263287   2    9.60187310065893   4.43212553485459
    3
     0.38049857044387   3  -11.50818558821808  40.35167496104746  -24.69224863994855
                                                     -90.97882176568288  61.44475878886035
                                                                            -49.16176517367043
     0.54738191746711   3   -4.60042827365694   2.89029759314343   -1.06036741074606
                                                      -4.77636888420074    1.43167659412373
                                                                             -1.14051822565078
     0.61899835707483   2   -3.54097331482425   2.87216582109438
                                                     -3.56244589057913



Pu GTH-PBE-q11
    4    6    1    0
     0.61013877667918   2    9.25166692069117   4.39279975593831
    3
     0.37459659137935   3  -12.82273313901064  40.33911760348114  -24.65549979598195
                                                     -91.16125358171072   61.47265278718860
                                                                            -49.18043675684672
     0.54496767045633   3   -4.68142425715647   2.87750790218236   -1.00969363552181
                                                      -4.73299113410491    1.39665605462314
                                                                             -1.11981046616944
     0.61069379956257   2   -3.71889624096222   2.89047538241787
                                                      -3.56616465093968

Am GTH-PBE-q11
    4    6    1    0
     0.60546078951900   2    8.72781264269194   4.49565905675831
    3
     0.36901374976903   3  -12.70807126605859  40.38844419061660  -24.58226951414571
                                                     -91.58243495236525   61.41484138748913
                                                                            -49.16875396572483
     0.54156768063884   3   -4.78288656538220   2.84624301128126   -0.89928191998424
                                                      -4.78676806809491    1.36571099741471
                                                                             -1.11723442490174
     0.60602386163520   2   -3.87337207134831   2.92907513273943
                                                     -3.59730573967391

Cm GTH-PBE-q11
    4    6    1    0
     0.59947818294380   2    7.99609140363435   4.51298190691005
    3
     0.36389090034241   3  -14.23196946162781  40.49682176528865  -24.41802187792037
                                                     -91.71452776242181   61.52214987276304
                                                                            -49.20696692272691
     0.54981097287123   3   -4.79422112411562   2.85323809740356   -0.84354708283684
                                                      -4.77499866717240    1.40340301373432
                                                                             -1.09205700001196
     0.59610273103927   2   -4.09007171633552   2.93903824663921
                                                      -3.53788542539374

Bk GTH-PBE-q11
    4    6    1    0
     0.59455295864549   2    7.81529974729392   3.98540786346988
    3
     0.35745414208211   3  -15.91633683297870  40.64280598763860  -24.21633090805591
                                                     -91.74834648434108   61.69125561911634
                                                                            -49.22230327396702
     0.54920814123780   3   -4.76812672414884   2.84206901406039   -0.92794213311063
                                                      -4.61478312902389    1.46298395124623
                                                                             -1.01713584863739
     0.59563207447516   2   -4.16297114153168   3.05364825981533
                                                     -3.53805795326533

Cf GTH-PBE-q11
    4    6    1    0
     0.59269695118176   2    7.28349649139888   3.57497931024786
    3
     0.35057514646630   3  -16.25450714310945  40.75943395568367  -24.10606174686641
                                                     -91.83962742753094   61.85612435419416
                                                                             -49.28309943862950
     0.54871780018906   3   -4.71279305990132   2.90226202058622   -0.87160985736189
                                                      -4.62307738242642    1.49949664266598
                                                                             -1.08735000000006
     0.58879854960418   2   -4.13086536110881   3.12102506530334
                                                      -3.59529898605954

Es GTH-PBE-q11
    4    6    1    0
     0.58436240993816   2    6.77542354139093   3.52807593342744
    3
     0.34735922999411   3  -17.05562065753169  40.90468582255368  -23.98298987712991
                                                     -91.90869515285537   61.93751594273549
                                                                            -49.21722890318053
     0.57639546621048   3   -4.74560727833950   2.90515593770207   -0.81288601169790
                                                      -4.58433998053677    1.67735314260557
                                                                             -1.18058166873028
     0.57615261166161   2   -4.19835829425044   3.20190317517799
                                                      -3.65367343699024

Fm GTH-PBE-q11
    4    6    1    0
     0.58066733371761   2    7.93457442162358   2.80780352970456
    3
     0.34221393663550   3  -17.45447840195349  41.02588348183846  -23.94634700690018
                                                     -91.94892515442334   61.83671296428367
                                                                            -49.04493099958223
     0.57365123802791   3   -4.39027118533163   2.75271292596225   -1.06905402834628
                                                      -5.05991630862581    2.55810295542244
                                                                             -1.92669729099245
     0.57853938725987   2   -3.77552409299278   2.88576003821164
                                                      -3.26351072780780

Md GTH-PBE-q11
    4    6    1    0
     0.57552447209425   2    5.26759073523410   3.21771834918739
    3
     0.33178612040675   3  -15.14623836704947  41.37267171473818  -24.91162000129502
                                                     -93.98850515456189   64.25762087117297
                                                                             -50.99541776160933
     0.55666205551043   3   -5.26930351203652   3.62520305549229   -0.35617801543328
                                                      -4.77935568292311    0.77096293390926
                                                                             -0.55245499999929
     0.54625467331340   2   -4.76673017713054   4.28496600280858
                                                     -4.92711429915561

No GTH-PBE-q11
    4    6    1    0
     0.57122425229558   2    6.44053523928606   2.60612839427899
    3
     0.32696668429912   3  -16.14691493711167  41.58875726698156  -24.81535300976124
                                                     -94.05587361853927   64.07296487283004
                                                                            -50.85717100347115
     0.55185922737330   3   -4.99487903301153   3.43999080149747   -0.64011323368650
                                                      -5.13544919633202    1.51478351328481
                                                                             -1.07696314221995
     0.54686260967594   2   -4.59260634065027   4.13122788660607
                                                      -4.68457194704409

Lr GTH-PBE-q11
    4    6    1    0
     0.56800948397973   2    5.26758280007879   2.95603720198751
    3
     0.32367208218784   3  -16.41588598466144  41.80353400455424  -24.78559847033378
                                                     -94.29345401635553   63.99613383726800
                                                                             -50.79449368572157
     0.55588079837218   3   -4.95269825612582   3.33096862298404   -0.43390091302758
                                                      -4.66442021994679    1.02679425350943
                                                                             -0.73160269158286
     0.54530135357711   2   -4.60446149448345   4.00068894204742
                                                     -4.53688844690419

#  5f-in-core pseudopotentials for tetravalent actinides (AnPP2-IV):

Pa GTH-PBE-q12
    4    6    2    0
     0.62390798640918   2   10.04700462075338   5.94952312893209
    3
     0.43706433293174   3  -14.82210544922980  30.45770808670811  -17.00929969798609
                                                     -67.19142953823075  42.75095216462480
                                                                            -33.76271598636261
     0.50616500201638   3   -9.32950628309606  12.65420399999100   -4.93959317265585
                                                     -23.18057424898746  10.91290126328530
                                                                             -8.27813025081516
     0.57235782733634   2   -5.06835282726559   3.91162525651295
                                                     -4.81075191009998

U GTH-PBE-q12
    4    6    2    0
     0.61914048622637   2    9.49293767798729   5.81851428363114
    3
     0.42684481876815   3  -14.67263842772978  30.44067453785809  -17.01002423923154
                                                     -67.18541639868521   42.77574697563610
                                                                            -33.96054647001569
     0.50244120690605   3   -9.37513747955359  12.63857199975197   -4.93033700034730
                                                     -23.27165663016468   10.94261599988131
                                                                             -8.26618574882020
     0.57379328645073   2   -5.07470394522336   3.91990759595688
                                                   -4.81274723153208

Np GTH-PBE-q12
    4    6    2    0
     0.61493019791884   2    8.98054089811413   5.55500550859773
    3
     0.41686087252186   3  -13.70959266141332  30.30503254662544  -17.07719224174927
                                                     -67.23065895812013  42.83960454348569
                                                                            -34.08872426577683
     0.49362900334034   3   -8.90121506772777  12.54961499969973   -4.99552701247436
                                                     -23.30295021637829  10.90297796014967
                                                                             -8.19329744821089
     0.57286152292974   2   -4.70753457533264   3.84996636120646
                                                      -4.84867378076897

Pu GTH-PBE-q12
    4    6    2    0
     0.60927263590795   2    8.48308130444876   5.45260739600748
    3
     0.40920411734102   3  -13.27152095633221  30.24615654896381  -17.20246102583742
                                                      -67.22402806426051  42.96281913399788
                                                                             -34.23171732917183
     0.49172597409268   3   -9.02051486556408  12.59841099985024   -4.96823300017618
                                                     -23.36066567703574  10.92262660514311
                                                                             -8.15885269539115
     0.56875484090373   2   -4.59293536845945   3.80530927101572
                                                      -4.82793449216499

Am GTH-PBE-q12
    4    6    2    0
     0.60371100000000   2    7.29396279724489   5.26470383953741
    3
     0.39898520035848   3  -12.01151840892290  30.17012400000000  -17.26251700000000
                                                     -67.27391991369979   43.07019700000000
                                                                             -34.30388500000000
     0.48683130919561   3   -8.76158614508168  12.57054900000000   -4.99061900000000
                                                     -23.32118292320760   10.93631900000000
                                                                              -8.09951400000000
     0.56077519214643   2   -4.43587003097131   3.77386800000000
                                                      -4.83902043900000

Cm GTH-PBE-q12
    4    6    2    0
     0.59948027483364   2    6.85459735205215   4.90838897562066
    3
     0.39346624049034   3  -12.23858769237388  30.23284200000000  -17.20106100000000
                                                     -67.25471099842402   43.16907700000000
                                                                             -34.30529901929799
     0.48591214595546   3   -8.69448711897534  12.57861500000000   -4.94620000000000
                                                     -23.30367435501591  10.98725300000000
                                                                             -8.08971637763898
     0.55813300065592   2   -4.37740514045255   3.86583900000000
                                                     -4.86604543469845

Bk GTH-PBE-q12
    4    6    2    0
     0.59743287613716   2    6.37112646653694   4.39485438405467
    3
     0.38568867241230   3  -12.56293468714751  30.33181935160248  -17.07165601765156
                                                     -67.24735141448512   43.25223042400921
                                                                            -34.34139878686143
     0.48341111272013   3   -8.68538465321036  12.48837699894904   -4.97146600116589
                                                     -23.24212585581614   11.07242597430473
                                                                              -7.98872087174162
     0.55529043796063   2   -4.33048815175145   3.91073099424615
                                                      -4.84887789703127

Cf GTH-PBE-q12
    4    6    2    0
     0.58947059733114   2    6.34978155111332   3.59773381787679
    3
     0.37699811245303   3  -12.56470038108744  30.36321701195794  -17.10085728526166
                                                     -67.11920257913073   43.42591071958075
                                                                             -34.23231088735959
     0.46963079443406   3   -8.67902247072270  12.69142700000950   -4.88448205148938
                                                     -23.33396581377164   11.12434300211233
                                                                              -8.06754694885878
     0.54624312260696   2   -4.41448093306982   4.04081268274384
                                                      -4.79296321172160

Es GTH-PBE-q12
    4    6    2    0
     0.58536264620567   2    5.91234098433565   3.37030046323168
    3
     0.37199887280458   3  -12.68270520891217  30.39213699999966  -17.01323000000039
                                                     -67.08497799999999   43.45158686090260
                                                                            -34.22238582871076
     0.46817603886375   3   -8.83559013744748  12.75208700000025   -4.80291299999972
                                                     -23.36731595074082   11.13836000000023
                                                                              -8.04482577887841
     0.54387428608494   2   -4.39579057423483   4.06967367619848
                                                      -4.75883720543998

Fm GTH-PBE-q12
    4    6    2    0
     0.58270693117284   2    5.69035801202061   2.94827543149314
    3
     0.36458272087089   3  -12.71991854507368  30.43493024564909  -17.02233685881646
                                                     -66.98357892463386   43.52003968091599
                                                                             -34.24696602810533
     0.46802378301391   3   -8.97476065331886  12.73852597995212   -4.79333202176383
                                                     -23.32309284195531   11.24633998242064
                                                                              -8.05124923956556
     0.53663129997746   2   -4.38002940511747   4.09159418918654
                                                      -4.73391432808035

Md GTH-PBE-q12
    4    6    2    0
     0.57519761881553   2    4.88384854789498   3.03627754504597
    3
     0.35799236494642   3  -12.60497497890550  30.47972479946028  -16.92529521463539
                                                     -66.98070038473470   43.52706979544834
                                                                             -34.33179257880732
     0.47004000103993   3   -9.25513538114183  12.81437599782377   -4.82445386896884
                                                     -23.22124509611156   11.29310218725130
                                                                              -8.06000599006043
     0.52814455128195   2   -4.42301143347909   4.07228025972317
                                                      -4.70351604609377

No GTH-PBE-q12
    4    6    2    0
     0.57170834362576   2    4.68299238031696   2.94155327100135
    3
     0.35345962161637   3  -12.60958484646936  30.48450900000000  -16.89072800000000
                                                     -66.98743600000000   43.53354500000000
                                                                             -34.40160972175048
     0.46947634215144   3   -9.36446852061542  12.82219900000000   -4.78620100000000
                                                     -23.21891900760129   11.29927200000000
                                                                              -8.05491074510700
     0.52536076294208   2   -4.43366229588219   4.07247800000000
                                                      -4.67621912298251

Lr GTH-PBE-q12
    4    6    2    0
     0.56583429213984   2    4.65235863747736   2.73643564361868
    3
     0.34779520663655   3  -12.62528957683333  30.58355135339193  -16.88221341887533
                                                     -66.94219014603895   43.58968488197535
                                                                             -34.50606070813990
     0.47308862693364   3   -9.37406384362212  12.83453682120375   -4.80819239720545
                                                      -23.19196389075846   11.37826037115013
                                                                               -8.07037889529201
     0.51872128946658   2   -4.42616772224788   4.07146886587128
                                                      -4.61156085610503
