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Towards highly accurate calculations of parity violation in chiral molecules: relativistic coupled-cluster theory including QED-effects

Sunaga, Ayaki Saue, Trond 京都大学 DOI:10.1080/00268976.2021.1974592

2021

概要

Parity-violating energies EPV of the H₂X₂ (X = O, S, Se, Te, Po) molecules are reported, calculated as analytical expectation values at the relativistic coupled-cluster singles-and-doubles (CCSD) level using property-optimised basis sets. Radiative corrections to the EPV was investigated using effective QED-potentials and found to reach a maximal value of 2.38% for H₂Po₂. However, this result depends on the choice of effective self-energy potential and may indicate limitations to their domain of validity.

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参考文献

[1] N. Jones, Nature 481 (7379), 14–17 (2012). doi:10.1038/

481014a

[2] J. Crassous, C. Chardonnet, T. Saue and P. Schwerdtfeger, Org. Biomol. Chem. 3, 2218–2224 (2005).

doi:10.1039/b504212g

[3] J. Erler and M. Ramsey-Musolf, Prog. Part. Nucl. Phys 54

(2), 351–442 (2005). doi:10.1016/j.ppnp.2004.08.001

[4] M.S. Safronova, D. Budker, D. DeMille, D.F.J. Kimball, A.

Derevianko and C.W. Clark, Rev. Mod. Phys. 90, 025008

(2018). doi:10.1103/RevModPhys.90.025008

[5] T.D. Lee and C.N. Yang, Phys. Rev. 104, 254–258 (1956).

doi:10.1103/PhysRev.104.254

[6] C.S. Wu, E. Ambler, R.W. Hayward, D.D. Hoppes

and R.P. Hudson, Phys. Rev. 105, 1413–1415 (1957).

doi:10.1103/PhysRev.105.1413

[7] H. Postma, W. Huiskamp, A. Miedema, M. Steenland, H.

Tolhoek and C. Gorter, Physica 23 (1), 259–260 (1957).

doi:10.1016/S0031-8914(57)91829-3

[8] R.L. Garwin, L.M. Lederman and M. Weinrich, Phys.

Rev. 105, 1415–1417 (1957). doi:10.1103/PhysRev.105.

1415

[9] J.I. Friedman and V.L. Telegdi, Phys. Rev. 105, 1681–1682

(1957). doi:10.1103/PhysRev.105.1681.2

[10] S.L. Glashow, Rev. Mod. Phys. 52, 539–543 (1980).

doi:10.1103/RevModPhys.52.539

[11] S. Weinberg, Rev. Mod. Phys. 52, 515–523 (1980).

doi:10.1103/RevModPhys.52.515

[12] A. Salam, Rev. Mod. Phys. 52, 525–538 (1980). doi:10.

1103/RevModPhys.52.525

[13] Y.B. Zel’dovich, Soviet Phys. JETP 9, 682–683 (1959.

http://jetp.ras.ru/cgi-bin/e/index/e/9/3/p682?a = list

[14] F.C. Michel, Phys. Rev. 138, B408–B415 (1965). doi:10.

1103/PhysRev.138.B408

[15] M. Bouchiat and C. Bouchiat, Physics Letters B 48 (2),

111–114 (1974). doi:10.1016/0370-2693(74)90656-X

[16] M.A. Bouchiat and C. Bouchiat, J. Phys. France 35 (12),

899–927 (1974). doi:10.1051/jphys:019740035012089

900

[17] L. Barkov and M. Zolotorev, JETP Lett. 27, 357–361

(1978). doi:10.1016/0370-2693(79)90604-X.

[18] L. Barkov and M. Zolotorev, Phys. Lett. B 85 (2), 308–313

(1979). doi:10.1016/0370-2693(79)90604-X

[19] R. Conti, P. Bucksbaum, S. Chu, E. Commins and L.

Hunter, Phys. Rev. Lett. 42, 343–346 (1979). doi:10.1103/

PhysRevLett.42.343

[20] P. Bucksbaum, E. Commins and L. Hunter, Phys.

Rev. Lett. 46, 640–643 (1981). doi:10.1103/PhysRevLett.

46.640

[21] P.S. Drell and E.D. Commins, Phys. Rev. Lett. 53,

968–971 (1984). doi:10.1103/PhysRevLett.53.968

[22] P.A. Vetter, D.M. Meekhof, P.K. Majumder, S.K. Lamoreaux and E.N. Fortson, Phys. Rev. Lett. 74, 2658–2661

(1995). doi:10.1103/PhysRevLett.74.2658

[23] N.H. Edwards, S.J. Phipp, P.E.G. Baird and S. Nakayama,

Phys. Rev. Lett. 74, 2654–2657 (1995). doi:10.1103/

PhysRevLett.74.2654

[24] M. Bouchiat, J. Guéna, L. Hunter and L. Pottier, Phys.

Lett. B 117 (5), 358–364 (1982). doi:10.1016/0370-2693

(82)90736-5

[25] M. Bouchiat, J. Guéna, L. Pottier and L. Hunter, J. Phys.

France 47, 1709–1730 (1986). doi:10.1051/jphys:0198600

470100170900

[26] C. Wood, S. Bennett, D. Cho, B. Masterson, J. Roberts,

C. Tanner and C.E. Wieman, Science 275 (5307),

1759–1763 (1997). doi:10.1126/science.275.5307.1759

[27] S.C. Bennett and C.E. Wieman, Phys. Rev. Lett. 82,

2484–2487 (1999). doi:10.1103/PhysRevLett.82.2484

[28] J. Guéna, D. Chauvat, P. Jacquier, E. Jahier, M. Lintz,

S. Sanguinetti, A. Wasan, M.A. Bouchiat, A.V. Papoyan

and D. Sarkisyan, Phys. Rev. Lett. 90, 143001 (2003).

doi:10.1103/PhysRevLett.90.143001

[29] J. Guéna, M. Lintz and M.A. Bouchiat, Phys. Rev. A 71,

042108 (2005). doi:10.1103/PhysRevA.71.042108

[30] T.P. Emmons, J.M. Reeves and E.N. Fortson, Phys. Rev.

Lett. 51, 2089–2092 (1983). doi:10.1103/PhysRevLett.

51.2089

[31] D.M. Meekhof, P. Vetter, P.K. Majumder, S.K. Lamoreaux

and E.N. Fortson, Phys. Rev. Lett. 71, 3442–3445 (1993).

doi:10.1103/PhysRevLett.71.3442

[32] S.J. Phipp, N.H. Edwards, P.E.G. Baird and S. Nakayama,

J. Phys. B: Atom. Molecular Opt. Phys.29 (9), 1861–1869

(1996). doi:10.1088/0953-4075/29/9/028

[33] M.J.D. Macpherson, K.P. Zetie, R.B. Warrington, D.N.

Stacey and J.P. Hoare, Phys. Rev. Lett. 67, 2784–2787

(1991). doi:10.1103/PhysRevLett.67.2784

[34] K. Tsigutkin, D. Dounas-Frazer, A. Family, J.E. Stalnaker, V.V. Yashchuk and D. Budker, Phys. Rev. Lett. 103,

071601 (2009). doi:10.1103/PhysRevLett.103.071601

[35] D. Antypas, A. Fabricant, J.E. Stalnaker, K. Tsigutkin,

V.V. Flambaum and D. Budker, Nat. Phys. 15 (2),

120–123 (2019). doi:10.1038/s41567-018-0312-8

[36] B. Roberts, V. Dzuba and V. Flambaum, Ann. Rev.

Nuclear Particle Sci. 65 (1), 63–86 (2015). doi:10.1146/

annurev-nucl-102014-022331

[37] V. Letokhov, Phys. Lett. A 53 (4), 275–276 (1975).

doi:10.1016/0375-9601(75)90064-X

[38] B.Y. Zel’dovich, D. Saakyan and I. Sobel’man, JETP Letter 25, 94–97 (1977. http://jetpletters.ru/ps/1388/article_

21066.shtml

[39] D. Rein, R. Hegstrom and P. Sandars, Phys. Lett. A 71 (5),

499–502 (1979). doi:10.1016/0375-9601(79)90647-9

[40] W.A. Bonner, Top. Stereochem. 18, 1 (1988). doi:10.1002/

anie.200290005

[41] M. Quack, Angew. Chem. Int. Ed. 41 (24), 4618–4630

(2002). doi:10.1002/(ISSN)1521-3773

[42] V.A. Tsarev, Phys. Part. Nucl 40 (7), 998–1029 (2009).

doi:10.1134/S1063779609070028

[43] B. Darquié, C. Stoeffler, S. Zrig, J. Crassous, P. Soulard,

P. Asselin, T.R. Huet, L. Guy, R. Bast, T. Saue, P.

Schwerdtfeger, A. Shelkovnikov, C. Daussy, A. AmyKlein and C. Chardonnet, Chirality22, 870 (2010).

doi:10.1002/chir.20911

[44] A. Cournol, M. Manceau, M. Pierens, L. Lecordier,

D.B.A. Tran, R. Santagata, B. Argence, A. Goncharov, O.

Lopez, M. Abgrall, Y.L. Coq, R.L. Targat, H.A. Martinez,

W.K. Lee, D. Xu, P.E. Pottie, R.J. Hendricks, T.E. Wall,

J.M. Bieniewska, B.E. Sauer, M.R. Tarbutt, A. Amy-Klein,

S.K. Tokunaga and B. Darquié, Quantum. Elec. (Woodbury) 49 (3), 288–292 (2019). doi:10.1070/QEL16880

A Self-archived copy in

Kyoto University Research Information Repository

https://repository.kulib.kyoto-u.ac.jp

MOLECULAR PHYSICS

[45] R. Berger and J. Stohner, Wiley Interdiscip. Rev. Comput.

Mol. Sci 9 (3), 1–25 (2019). doi:10.1002/wcms.1396

[46] F. De Montigny, R. Bast, A. Severo Pereira Gomes, G.

Pilet, N. Vanthuyne, C. Roussel, L. Guy, P. Schwerdtfeger,

T. Saue and J. Crassous, Phys. Chem. Chem. Phys. 12,

8792–8803 (2010). doi:10.1039/b925050f

[47] R.J. Bartlett and J.F. Stanton, Rev. Comput. Chem. 5,

65–169 (1994). doi:10.1002/9780470125823.ch2.

[48] T.D. Crawford and H.F. Schaefer III, Rev. Comput. Chem. 14, 33–136 (2000). doi:10.1002/9780470125

915.ch2

[49] R.J. Bartlett and M. Musiał, Rev. Mod. Phys. 79, 291–352

(2007). doi:10.1103/RevModPhys.79.291

[50] J. Liu and L. Cheng, WIREs Comput. Molecular Sci.,

e1536 (2021). doi:10.1002/wcms.1536

[51] J. Thyssen, J.K. Laerdahl and P. Schwerdtfeger, Phys. Rev.

Lett. 85, 3105–3108 (2000). doi:10.1103/PhysRevLett.

85.3105

[52] S. Mason and G. Tranter, Mol. Phys. 53 (5), 1091–1111

(1984). doi:10.1080/00268978400102881

[53] A. Bakasov, T.K. Ha and M. Quack, J. Chem. Phys. 109,

7263–7285 (1998). doi:10.1063/1.477360. Erratum: ibid.

110, 6081 (1999).

[54] P. Lazzeretti and R. Zanasi, Chem. Phys. Lett. 279 (5–6),

349–354 (1997). doi:10.1016/S0009-2614(97)01060-9

[55] J.K. Laerdahl and P. Schwerdtfeger, Phys. Rev. A. 60 (6),

4439 (1999). doi:10.1103/PhysRevA.60.4439

[56] A.C. Hennum, T. Helgaker and W. Klopper, Chem.

Phys. Lett. 354 (3), 274–282 (2002). doi:10.1016/S00092614(02)00111-2

[57] R. Berger and C. van Wüllen, J. Chem. Phys. 122 (13),

134316 (2005). doi:10.1063/1.1869467

[58] R. Berger, J. Chem. Phys. 129 (15), 154105 (2008).

doi:10.1063/1.2958280

[59] R. Bast, A. Koers, A.S.P. Gomes, M. Iliaš, L. Visscher, P.

Schwerdtfeger and T. Saue, Phys. Chem. Chem. Phys. 13

(3), 864–876 (2011). doi:10.1039/C0CP01483D

[60] L. Horný and M. Quack, Mol. Phys. 113 (13–14),

1768–1779 (2015). doi:10.1080/00268976.2015.1012131

[61] J.N. van Stralen, L. Visscher, C.V. Larsen and H.J.A.

Jensen, Chem. Phys. 311 (1–2), 81–95 (2005). doi:10.1016/

j.chemphys.2004.10.018

[62] A. Shee, L. Visscher and T. Saue, J. Chem. Phys. 145 (18),

184107 (2016). doi:10.1063/1.4966643

[63] J.V. Pototschnig, A. Papadopoulos, D.I. Lyakh, M.

Repisky, L. Halbert, A.S.P. Gomes, H.J.A. Jensen and L.

Visscher, J. Chem. Theory. Comput. (2021). doi:10.1021/

acs.jctc.1c00260

[64] W.E. Lamb Jr and R.C. Retherford, Phys. Rev. 72 (3), 241

(1947). doi:10.1103/PhysRev.72.241

[65] P. Indelicato, J. Phys. B: Atom. Molecular Opt. Phys. 52

(23), 232001 (2019). doi:10.1088/1361-6455/ab42c9

[66] P. Mohr, G. Plunien and G. Soff, Phys. Rep. 293, 228

(1998). doi:10.1016/S0370-1573(97)00046-X

[67] J. Sapirstein and K.T. Cheng, Phys. Rev. A 66, 042501

(2002). doi:10.1103/PhysRevA.66.042501

[68] J. Sapirstein and K.T. Cheng, Phys. Rev. A 91, 062508

(2015). doi:10.1103/PhysRevA.91.062508

[69] V.I. Korobov, J.C.J. Koelemeij, L. Hilico and J.P. Karr,

Phys. Rev. Lett. 116, 053003 (2016). doi:10.1103/PhysRev

Lett.116.053003

[70] V.I. Korobov, L. Hilico and J.P. Karr, Phys. Rev. Lett. 118,

233001 (2017). doi:10.1103/PhysRevLett.118.233001

[71] V. Yerokhin and V. Shabaev, Phys. Lett. A 207 (5),

274–280 (1995). doi:10.1016/0375-9601(95)00692-V

[72] B.C. Shepler, N.B. Balabanov and K.A. Peterson, J. Phys.

Chem. A 109 (45), 10363–10372 (2005). doi:10.1021/

jp0541617

[73] C. Thierfelder and P. Schwerdtfeger, Phys. Rev. A. 82 (6),

062503 (2010). doi:10.1103/PhysRevA.82.062503

[74] A.N. Artemyev, in Handbook of Relativistic Quantum

Chemistry, edited by W. Liu (Springer Berlin Heidelberg,

Berlin, Heidelberg, 2016), pp. 1–19.

[75] L. Pašteka, E. Eliav, A. Borschevsky, U. Kaldor and P.

Schwerdtfeger, Phys. Rev. Lett. 118 (2), 023002 (2017).

doi:10.1103/PhysRevLett.118.023002

[76] E.A. Uehling, Phys. Rev. 48 (1), 55–63 (1935). doi:10.1103/

PhysRev.48.55

[77] P. Pyykkö and L.B. Zhao, J. Phys. B: Atom. Molecular

Opt. Phys. 36 (8), 1469–1478 (2003). doi:10.1088/09534075/36/8/302

[78] V.V. Flambaum and J.S.M. Ginges, Phys. Rev. A. 72 (5),

052115 (2005). doi:10.1103/PhysRevA.72.052115

[79] V.M. Shabaev, I.I. Tupitsyn and V.A. Yerokhin, Phys. Rev.

A 88, 012513 (2013). doi:10.1103/PhysRevA.88.012513

[80] T. Hangele, M. Dolg, M. Hanrath, X. Cao and P. Schwerdtfeger, J. Chem. Phys. 136 (21), 214105 (2012).

doi:10.1063/1.4723805

[81] T. Hangele, M. Dolg and P. Schwerdtfeger, J. Chem. Phys.

138 (17), 174113 (2013). doi:10.1063/1.4803148

[82] T. Saue, R. Bast, A.S.P. Gomes, H.J.A. Jensen, L. Visscher, I.A. Aucar, R. Di Remigio, K.G. Dyall, E. Eliav, E.

Fasshauer and T. Fleig, J. Chem. Phys. 152 (20), 204104

(2020). doi:10.1063/5.0004844

[83] A. Sunaga, M. Salman and T. Saue, to be published

(2021).

[84] L.V. Skripnikov, J. Chem. Phys. 154 (20), 201101 (2021).

doi:10.1063/5.0053659

[85] S.A. Blundell, J. Sapirstein and W.R. Johnson, Phys.

Rev. D 45, 1602–1623 (1992). doi:10.1103/PhysRevD.45.

1602

[86] W. Johnson, I. Bednyakov and G. Soff, Phys. Rev.

Lett. 88, 079903 (2002). doi:10.1103/PhysRevLett.87.23

3001

[87] A. Milstein, O. Sushkov and I. Terekhov, Phys. Rev. Lett.

89 (28), 283003 (2002). doi:10.1103/PhysRevLett.89.

283003

[88] V.M. Shabaev, I.I. Tupitsyn, K. Pachucki, G. Plunien

and V.A. Yerokhin, Phys. Rev. A 72, 062105 (2005).

doi:10.1103/PhysRevA.72.062105

[89] M.Y. Kuchiev and V. Flambaum, J. Phys. B: Atom. Molecular Opt. Phys. 36 (16), R191 (2003). doi:10.1088/09534075/36/16/201

[90] B.M. Roberts, V.A. Dzuba and V.V. Flambaum, Phys.

Rev. A 87, 054502 (2013). doi:10.1103/PhysRevA.87.

054502

[91] B.M. Roberts, V.A. Dzuba and V.V. Flambaum, Phys.

Rev. A 88, 012510 (2013). doi:10.1103/PhysRevA.88.

012510

[92] B.K. Sahoo and B.P. Das, Mol. Phys. 115 (21–22),

2765–2774 (2017). doi:10.1080/00268976.2017.131

7859

[93] O.Y. Khetselius, A.V. Glushkov, M.Y. Gurskaya, A.A.

Kuznetsova, Y.V. Dubrovskaya, I.N. Serga and L.A.

Vitavetskaya, J. Phys. Conf. Ser. 905, 012029 (2017).

doi:10.1088/1742-6596/905/1/012029

A Self-archived copy in

Kyoto University Research Information Repository

https://repository.kulib.kyoto-u.ac.jp

10

A. SUNAGA AND T. SAUE

[94] L.W. Fullerton and G.A. Rinker, Phys. Rev. A. 13 (3),

1283–1287 (1976). doi:10.1103/PhysRevA.13.1283

[95] P. Indelicato and P.J. Mohr, Phys. Rev. A 58, 165–179

(1998). doi:10.1103/PhysRevA.58.165

[96] T. Beier, P.J. Mohr, H. Persson and G. Soff, Phys. Rev. A

58, 954–963 (1998). doi:10.1103/PhysRevA.58.954

[97] S. Boucard and P. Indelicato, Eur. Phys. J. D 8 (1), 59–73

(2000). doi:10.1007/s10050-000-4504-z

[98] S.S. Schweber, An Introduction to Relativistic Quantum

Field Theory (Row, Peterson and Company, Evanston,

Illinois, 1961).

[99] V.B. Berestetskii, E.M. Lifshitz and L.P. Pitaevskii, Quantum Electrodynamics (Course of Theoretical Physics, 4)

(Pergamon Press, Oxford, 1982).

[100] P.J. Mohr and Y.K. Kim, Phys. Rev. A 45, 2727–2735

(1992). doi:10.1103/PhysRevA.45.2727

[101] P.J. Mohr, Phys. Rev. A 46, 4421–4424 (1992). doi:10.

1103/PhysRevA.46.4421

[102] K. Dyall, I. Grant, C. Johnson, F. Parpia and E. Plummer, Comput. Phys. Commun. 55 (3), 425–456 (1989).

doi:10.1016/0010-4655(89)90136-7

[103] T. Saue and T. Helgaker, J. Comput. Chem. 23 (8),

814–823 (2002). doi:10.1002/jcc.10066

[104] M. Iliaš and T. Saue, J. Chem. Phys. 126, 064102 (2007).

doi:10.1063/1.2436882

[105] J. Sikkema, L. Visscher, T. Saue and M. Ilia˘s, J. Chem.

Phys. 131, 124116 (2009). doi:10.1063/1.3239505

[106] W. Greiner and B. Müller, Gauge Theory of Weak Interactions (Springer, Berlin, 2009).

[107] R. Berger, in Relativistic Electronic Structure Theory. Part

2. Applications, edited by P. Schwerdtfeger (Elsevier,

Amsterdam, 2004), pp. 188–288.

[108] F. Halzen and A.D. Martin, Quarks & Leptons (John

Wiley, New York, 1984).

[109] P.Q. Hung and J.J. Sakurai, Ann. Rev. Nuclear Particle

Sci. 31 (1), 375–438 (1981). doi:10.1146/annurev.ns.31.

120181.002111

[110] E.D. Commins and P.H. Bucksbaum, Ann. Rev. Nuclear

Particle Sci. 30 (1), 1–52 (1980). doi:10.1146/annurev.ns.

30.120180.000245

[111] K. Nakamura and C. Amsler, P.D. Group, J. Phys.

G: Nuclear Particle Phys. 37 (7A), 075021 (2010).

doi:10.1088/0954-3899/37/7A/075021

[112] E. Fermi, Zeitschrift für Physik 88 (3), 161–177 (1934).

doi:10.1007/BF01351864

[113] E.C.G. Sudarshan and R.E. Marshak, Phys. Rev. 109,

1860–1862 (1958). doi:10.1103/PhysRev.109.1860.2

[114] R.P. Feynman and M. Gell-Mann, Phys. Rev. 109,

193–198 (1958). doi:10.1103/PhysRev.109.193

[115] J.J. Sakurai, Il Nuovo Cimento (1955–1965) 7 (5),

649–660 (1958). doi:10.1007/BF02781569

[116] A. Barra, J. Robert and L. Wiesenfeld, Phys. Lett. A 115

(9), 443–447 (1986). doi:10.1016/0375-9601(86)90072-1

[117] A.L. Barra, J.B. Robert and L. Wiesenfeld, Europhys. Lett.

(EPL) 5 (3), 217–222 (1988). doi:10.1209/0295-5075/5/

3/006

[118] G. Laubender and R. Berger, Chem. Phys. Chem 4 (4),

395–399 (2003). doi:10.1002/cphc.200390070

[119] A. Soncini, F. Faglioni and P. Lazzeretti, Phys. Rev. A 68,

033402 (2003). doi:10.1103/PhysRevA.68.033402

[120] R. Bast, P. Schwerdtfeger and T. Saue, J. Chem. Phys 125

(6), 064504 (2006). doi:10.1063/1.2218333

[121] S. Nahrwold and R. Berger, J. Chem. Phys. 130 (21),

214101 (2009). doi:10.1063/1.3103643

[122] S.L. Glashow, Nuclear Phys. 22 (4), 579–588 (1961).

doi:10.1016/0029-5582(61)90469-2

[123] S. Weinberg, Phys. Rev. Lett 19 (21), 1264 (1967).

doi:10.1103/PhysRevLett.19.1264

[124] P.A. Zyla, R.M. Barnett, J. Beringer, O. Dahl, D.A. Dwyer,

D.E. Groom, C.J. Lin, K.S. Lugovsky, E. Pianori and

D.J. Robinson, Particle Data Group, Prog. Theor. Exper.

Phys. 2020 (8), 083C01 (2020). doi:10.1093/ptep/ptaa

104

[125] E. Gajzago and G. Marx, AIP. Conf. Proc. 22 (1), 93–100

(1974). doi:10.1063/1.2947425

[126] R. Hegstrom, D. Rein and P. Sandars, J. Chem. Phys. 73

(5), 2329–2341 (1980). doi:10.1063/1.440383

[127] R. Berger and M. Quack, J. Chem. Phys. 112 (7),

3148–3158 (2000). doi:10.1063/1.480900

[128] L. Visscher and K.G. Dyall, Atomic Data Nuclear Data

Tables 67 (2), 207–224 (1997). doi:10.1006/adnd.1997.

0751

[129] L. Montanet, K. Gieselmann, R.M. Barnett, D.E. Groom,

T.G. Trippe, C.G. Wohl, B. Armstrong, G.S. Wagman,

H. Murayama, J. Stone, J.J. Hernandez, F.C. Porter, R.J.

Morrison, A. Manohar, M. Aguilar-Benitez, C. Caso,

P. Lantero, R.L. Crawford, M. Roos, N.A. Törnqvist,

K.G. Hayes, G. Höhler, S. Kawabata, D.M. Manley,

K. Olive, R.E. Shrock, S. Eidelman, R.H. Schindler,

A. Gurtu, K. Hikasa, G. Conforto, R.L. Workman

and C. Grab, Phys. Rev. D 50, 1173–1814 (1994).

doi:10.1103/PhysRevD.50.1173

[130] K.G. Dyall, Theor. Chem. Acc. 108 (6), 335–340 (2002).

doi:10.1007/s00214-002-0388-0

[131] K.G. Dyall, Theor. Chem. Acc. 115 (5), 441–447 (2006).

doi:10.1007/s00214-006-0126-0

[132] K.G. Dyall, Theor. Chem. Acc. 135 (5), 128–138 (2016).

doi:10.1007/s00214-016-1884-y

[133] S.A. Teukolsky, W.T. Vetterling and B.P. Flannery,

W.H. Press, Numerical Recipes in Fortran 77,

2nd ed. (Cambridge University Press, Cambridge,

1992).

[134] L. Visscher, T.J. Lee and K.G. Dyall, J. Chem. Phys. 105

(19), 8769–8776 (1996). doi:10.1063/1.472655

[135] J.P. Perdew and K. Schmidt, in Density Functional Theory and Its Applications to Materials, edited by V.E. Van

Doren, K. Van Alsenoy and P. Geerlings (American Institute of Physics, Melville, N.Y., 2001).

[136] J.C. Slater, Phys. Rev 81 (3), 385–390 (1951). doi:10.1103/

PhysRev.81.385

[137] S.H. Vosko, L. Wilk and M. Nusair, Can. J. Phys 58 (8),

1200–1211 (1980). doi:10.1139/p80-159

[138] A.D. Becke, Phys. Rev. A 38 (6), 3098–3100 (1988).

doi:10.1103/PhysRevA.38.3098

[139] C. Lee, W. Yang and R.G. Parr, Phys. Rev. B 37 (2),

785–789 (1988). doi:10.1103/PhysRevB.37.785

[140] B. Miehlich, A. Savin, H. Stoll and H. Preuss, Chem.

Phys. Lett 157 (3), 200–206 (1989). doi:10.1016/00092614(89)87234-3

[141] P.J. Stephens, F.J. Devlin, C.F. Chabalowski and M.J.

Frisch, J. Phys. Chem 98 (45), 11623–11627 (1994).

doi:10.1021/j100096a001

[142] A.D. Becke, J. Chem. Phys 98 (2), 1372–1377 (1993).

doi:10.1063/1.464304

A Self-archived copy in

Kyoto University Research Information Repository

https://repository.kulib.kyoto-u.ac.jp

MOLECULAR PHYSICS

[143] R.H. Hertwig and W. Koch, Chem. Phys. Lett 268

(5-6), 345–351 (1997). doi:10.1016/S0009-2614(97)00

207-8

[144] J.P. Perdew and W. Yue, Phys. Rev. B 33 (12), 8800–8802

(1986). doi:10.1103/PhysRevB.33.8800

[145] J.P. Perdew, K. Burke and M. Ernzerhof, Phys. Rev. Lett

77 (18), 3865–3868 (1996). doi:10.1103/PhysRevLett.

77.3865

[146] C. Adamo and V. Barone, J. Chem. Phys 110 (13),

6158–6170 (1999). doi:10.1063/1.478522

[147] M. Ernzerhof and G.E. Scuseria, J. Chem. Phys 110 (11),

5029–5036 (1999). doi:10.1063/1.478401

[148] T. Yanai, D.P. Tew and N.C. Handy, Chem. Phys. Lett 393

(1–3), 51–57 (2004). doi:10.1016/j.cplett.2004.06.011

[149] A. Sunaga and T. Saue, Towards highly accurate calculations of parity violation in chiral molecules: relativistic

[150]

[151]

[152]

[153]

11

coupled-cluster theory including QED-effects: Dataset

(Version 1.0) Zenodo. doi:10.5281/zenodo.5005425 2021

P. Pyykkö, M. Tokman and L. Labzowsky, Phys.

Rev. A. 57 (2), R689 (1998). doi:10.1103/PhysRevA.57.

R689

T. Saue, Chem. Phys. Chem 12 (17), 3077–3094 (2011).

doi:10.1002/cphc.201100682

P.J. Mohr and B.N. Taylor, Rev. Mod. Phys. 77, 1–107

(2005). doi:10.1103/RevModPhys.77.1

E. Tiesinga, P.J. Mohr, D.B. Newell and B.N. Taylor, The

2018 CODATA Recommended Values of the Fundamental Physical Constants (Web Version 8.1). Database

developed by J. Baker, M. Douma, and S. Kotochigova.

Available at http://physics.nist.gov/constants, National

Institute of Standards and Technology, Gaithersburg,

MD 20899 (2020).

...

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