I. R. Ariyarathna, F. Pawłowski, J. V. Ortiz, and E. Miliordos, Molecules mimicking atoms: monomers and dimers of alkali metal solvated electron precursors, Phys. Chem. Chem. Phys. 20, 24186–24191 (2018). DOI: 10.1039/C8CP05497E

I. R. Ariyarathna, S. N. Khan, F. Pawłowski, J. V. Ortiz, and E. Miliordos, Aufbau Rules for Solvated Electron Precursors: Be(NH₃)₄^0,± Complexes and Beyond, J. Phys. Chem. Lett. 9, 84–88 (2018). DOI: 10.1021/acs.jpclett.7b03000

T. Kjærgaard, P. Baudin, D. Bykov, J. J. Eriksen, P. Ettenhuber, K. Kristensen, J. Larkin, D. Liakh, F. Pawłowski, A. Vose, Y. M. Wang, and P. Jørgensen, Massively parallel and linear-scaling algorithm for second-order Møller–Plesset perturbation theory applied to the study of supramolecular wires, Computer Physics Communications 212, 152–160 (2017). DOI: 10.1016/j.cpc.2016.11.002

S. Coriani, F. Pawłowski, J. Olsen, and P. Jørgensen, Molecular response properties in equation of motion coupled cluster theory: A time-dependent perspective, The Journal of Chemical Physics 144, 024102 (2016). DOI: 10.1063/1.4939183

F. Pawłowski, J. Olsen, and P. Jørgensen, Molecular response properties from a Hermitian eigenvalue equation for a time-periodic Hamiltonian, The Journal of Chemical Physics 142, 114109 (2015). DOI: 10.1063/1.4913364

A. Baranowska-Łączkowska, B. Fernández, A. Rizzo, and F. Pawłowski, Applicability of medium-size basis sets in calculations of molecular dynamic polarisabilities, Molecular Physics 113, 1786–1793 (2015). DOI: 10.1080/00268976.2015.1014004

K. Aidas, C. Angeli, K. L. Bak, V. Bakken, R. Bast, L. Boman, O. Christiansen, R. Cimiraglia, S. Coriani, P. Dahle, E. K. Dalskov, U. Ekström, T. Enevoldsen, J. J. Eriksen, P. Ettenhuber, B. Fernández, L. Ferrighi, H. Fliegl, L. Frediani, K. Hald, A. Halkier, C. Hättig, H. Heiberg, T. Helgaker, A. C. Hennum, H. Hettema, E. Hjertenæs, S. Høst, I.-M. Høyvik, M. F. Iozzi, B. Jansík, H. J. A. Jensen, D. Jonsson, P. Jørgensen, J. Kauczor, S. Kirpekar, T. Kjærgaard, W. Klopper, S. Knecht, R. Kobayashi, H. Koch, J. Kongsted, A. Krapp, K. Kristensen, A. Ligabue, O. B. Lutnæs, J. I. Melo, K. V. Mikkelsen, R. H. Myhre, C. Neiss, C. B. Nielsen, P. Norman, J. Olsen, J. M. H. Olsen, A. Osted, M. J. Packer, F. Pawlowski, T. B. Pedersen, P. F. Provasi, S. Reine, Z. Rinkevicius, T. A. Ruden, K. Ruud, V. V. Rybkin, P. Sałek, C. C. M. Samson, A. S. de Merás, T. Saue, S. P. A. Sauer, B. Schimmelpfennig, K. Sneskov, A. H. Steindal, K. O. Sylvester-Hvid, P. R. Taylor, A. M. Teale, E. I. Tellgren, D. P. Tew, A. J. Thorvaldsen, L. Thøgersen, O. Vahtras, M. A. Watson, D. J. D. Wilson, M. Ziolkowski, and H. Ågren, The Dalton quantum chemistry program system, WIREs Comput Mol Sci 4, 269–284 (2014). DOI: 10.1002/wcms.1172

A. Baranowska-Łączkowska, J. Chmielewska, F. Pawłowski, and A. Rizzo, Applicability of medium-size basis sets in calculation of electric dipole dynamic polarisabilities and first hyperpolarisabilities of non-interacting molecules, Molecular Physics 111, 1462–1469 (2013). DOI: 10.1080/00268976.2013.788747

A. Baranowska-Ła̧czkowska, W. Bartkowiak, R. W. Góra, F. Pawłowski, and R. Zaleśny, On the performance of long-range-corrected density functional theory and reduced-size polarized LPol-n basis sets in computations of electric dipole (hyper)polarizabilities of π-conjugated molecules, J. Comput. Chem. 34, 819–826 (2013). DOI: 10.1002/jcc.23197

S. Amaran, R. Kosloff, M. Tomza, W. Skomorowski, F. Pawłowski, R. Moszynski, L. Rybak, L. Levin, Z. Amitay, J. M. Berglund, D. M. Reich, and C. P. Koch, Femtosecond two-photon photoassociation of hot magnesium atoms: A quantum dynamical study using thermal random phase wavefunctions, The Journal of Chemical Physics 139, 164124 (2013). DOI: 10.1063/1.4826350

W. Skomorowski, F. Pawłowski, C. P. Koch, and R. Moszynski, Rovibrational dynamics of the strontium molecule in the AΣu+1, c3Πu, and aΣu+3 manifold from state-of-the-art ab initio calculations, The Journal of Chemical Physics 136, 194306 (2012). DOI: 10.1063/1.4713939

M. Tomza, F. Pawłowski, M. Jeziorska, C. P. Koch, and R. Moszynski, Formation of ultracold SrYb molecules in an optical lattice by photoassociation spectroscopy: theoretical prospects, Phys. Chem. Chem. Phys. 13, 18893–18904 (2011). DOI: 10.1039/C1CP21196J

W. Skomorowski, F. Pawłowski, T. Korona, R. Moszynski, P. S. Żuchowski, and J. M. Hutson, Interaction between LiH molecule and Li atom from state-of-the-art electronic structure calculations, The Journal of Chemical Physics 134, 114109 (2011). DOI: 10.1063/1.3563613

M. Krych, W. Skomorowski, F. Pawłowski, R. Moszynski, and Z. Idziaszek, Sympathetic cooling of the Ba${}^{+}$ ion by collisions with ultracold Rb atoms: Theoretical prospects, Phys. Rev. A 83, 032723 (2011). DOI: 10.1103/PhysRevA.83.032723

S. Reine, A. Krapp, M. F. Iozzi, V. Bakken, T. Helgaker, F. Pawłowski, and P. Sałek, An efficient density-functional-theory force evaluation for large molecular systems, The Journal of Chemical Physics 133, 044102 (2010). DOI: 10.1063/1.3459061

I. G. Cuesta, J. S. Marín, A. S. de Merás, F. Pawłowski, and P. Lazzeretti, Assessment of the CTOCD-DZ method in a hierarchy of coupled cluster methods, Phys. Chem. Chem. Phys. 12, 6163–6170 (2010). DOI: 10.1039/B925241J

R. Send, D. Sundholm, M. P. Johansson, and F. Pawłowski, Excited State Potential Energy Surfaces of Polyenes and Protonated Schiff Bases, J. Chem. Theory Comput. 5, 2401–2414 (2009). DOI: 10.1021/ct900240s

P. Sałek, S. Høst, L. Thøgersen, P. Jørgensen, P. Manninen, J. Olsen, B. Jansík, S. Reine, F. Pawłowski, E. Tellgren, T. Helgaker, and S. Coriani, Linear-scaling implementation of molecular electronic self-consistent field theory, The Journal of Chemical Physics 126, 114110 (2007). DOI: 10.1063/1.2464111

S. Coriani, S. Høst, B. Jansík, L. Thøgersen, J. Olsen, P. Jørgensen, S. Reine, F. Pawłowski, T. Helgaker, and P. Sałek, Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory, The Journal of Chemical Physics 126, 154108 (2007). DOI: 10.1063/1.2715568

M. Pecul, F. Pawłowski, P. Jørgensen, A. Köhn, and C. Hättig, High-order correlation effects on dynamic hyperpolarizabilities and their geometric derivatives: A comparison with density functional results, The Journal of Chemical Physics 124, 114101 (2006). DOI: 10.1063/1.2173253

M. J. Paterson, O. Christiansen, F. Pawłowski, P. Jørgensen, C. Hättig, T. Helgaker, and P. Sałek, Benchmarking two-photon absorption with CC3 quadratic response theory, and comparison with density-functional response theory, The Journal of Chemical Physics 124, 054322 (2006). DOI: 10.1063/1.2163874

O. Christiansen, S. Coriani, J. Gauss, C. Hättig, P. Jørgensen, F. Pawłowski, and A. Rizzo, Accurate Nonlinear Optical Properties for Small Molecules, in Non-Linear Optical Properties of Matter (eds. Papadopoulos, M. G., Sadlej, A. J. & Leszczynski, J.) 51–99 (Springer Netherlands, 2006). DOI: 10.1007/1-4020-4850-5_2

F. Pawłowski, P. Jørgensen, and C. Hättig, The second hyperpolarizability of the N2 molecule calculated using the approximate coupled cluster triples model CC3, Chemical Physics Letters 413, 272–279 (2005). DOI: 10.1016/j.cplett.2005.06.130

F. Pawłowski, P. Jørgensen, and C. Hättig, Cauchy Moments of Ne, Ar, and Kr Atoms Calculated Using the Approximate Coupled Cluster Triples Model CC3, Advances in Quantum Chemistry 48, 9–21 (2005). DOI: 10.1016/S0065-3276(05)48002-8

J. Lohilahti, H. Mattila, V.-M. Horneman, and F. Pawłowski, FT-FIR-spectrum and the ground state constants of D213CO, Journal of Molecular Spectroscopy 234, 279–285 (2005). DOI: 10.1016/j.jms.2005.09.015

J. Kongsted, T. B. Pedersen, M. Strange, A. Osted, A. E. Hansen, K. V. Mikkelsen, F. Pawlowski, P. Jørgensen, and C. Hättig, Coupled cluster calculations of the optical rotation of S-propylene oxide in gas phase and solution, Chemical Physics Letters 401, 385–392 (2005). DOI: 10.1016/j.cplett.2004.11.082

S. Høst, P. Jørgensen, A. Köhn, F. Pawłowski, W. Klopper, and C. Hättig, Frequency-dependent hyperpolarizabilities of the Ne, Ar, and Kr atoms using the approximate coupled cluster triples model CC3, The Journal of Chemical Physics 123, 094303 (2005). DOI: 10.1063/1.2008211

A. Rizzo, M. Kállay, J. Gauss, F. Pawłowski, P. Jørgensen, and C. Hättig, The Cotton-Mouton effect of neon and argon: A benchmark study using highly correlated coupled cluster wave functions, The Journal of Chemical Physics 121, 9461–9473 (2004). DOI: 10.1063/1.1805491

F. Pawłowski, P. Jørgensen, and C. Hättig, The hyperpolarizability of the Ne atom in the approximate coupled cluster triples model CC3, Chemical Physics Letters 391, 27–32 (2004). DOI: 10.1016/j.cplett.2004.04.055

F. Pawłowski, P. Jørgensen, and C. Hättig, Gauge invariance of oscillator strengths in the approximate coupled cluster triples model CC3, Chemical Physics Letters 389, 413–420 (2004). DOI: 10.1016/j.cplett.2004.03.126

K. Hald, F. Pawłowski, P. Jørgensen, and C. Hättig, Calculation of frequency-dependent polarizabilities using the approximate coupled-cluster triples model CC3, The Journal of Chemical Physics 118, 1292–1300 (2003). DOI: 10.1063/1.1523905

F. Pawłowski, A. Halkier, P. Jørgensen, K. L. Bak, T. Helgaker, and W. Klopper, Accuracy of spectroscopic constants of diatomic molecules from ab initio calculations, The Journal of Chemical Physics 118, 2539–2549 (2003). DOI: 10.1063/1.1533032

R. W. Larsen, F. Pawłowski, F. Hegelund, P. Jørgensen, J. Gauss, and B. Nelander, The equilibrium structure of trans-glyoxal from experimental rotational constants and calculated vibration–rotation interaction constants, Phys. Chem. Chem. Phys. 5, 5031–5037 (2003). DOI: 10.1039/B310331E

S. Raj, H. C. Padhi, P. Palit, D. K. Basa, M. Polasik, and F. Pawłowski, Relative    \textit{K}  x-ray intensity studies of the valence electronic structure of $3d$ transition metals, Phys. Rev. B 65, 193105 (2002). DOI: 10.1103/PhysRevB.65.193105

F. Pawłowski, P. Jørgensen, J. Olsen, F. Hegelund, T. Helgaker, J. Gauss, K. L. Bak, and J. F. Stanton, Molecular equilibrium structures from experimental rotational constants and calculated vibration–rotation interaction constants, The Journal of Chemical Physics 116, 6482–6496 (2002). DOI: 10.1063/1.1459782

F. Pawłowski, M. Polasik, S. Raj, H. C. Padhi, and D. K. Basa, Valence electronic structure of Ti, Cr, Fe and Co in some alloys from Kβ-to-Kα X-ray intensity ratio studies, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 195, 367–373 (2002). DOI: 10.1016/S0168-583X(02)01106-0

D. K. Basa, S. Raj, H. C. Padhi, M. Polasik, and F. Pawlowski, Studies on the valence electronic structure of Fe and Ni in FexNi1−x alloys, Pramana - J Phys 58, 783–786 (2002). DOI: 10.1007/s12043-002-0171-8

S. Raj, H. C. Padhi, P. Raychaudhury, A. K. Nigam, R. Pinto, M. Polasik, F. Pawłowski, and D. K. Basa, Valence electronic structure of Mn in undoped and doped lanthanum manganites from relative K X-ray intensity studies, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 174, 344–350 (2001). DOI: 10.1016/S0168-583X(00)00587-5

S. Raj, H. C. Padhi, M. Polasik, F. Pawłowski, and D. K. Basa, $K\ensuremath{\beta}-\mathrm{t}\mathrm{o}-K\ensuremath{\alpha}$ x-ray intensity ratio studies of the valence electronic structure of Fe and Ni in ${\mathrm{Fe}}_{x}{\mathrm{Ni}}_{1-x}$ alloys, Phys. Rev. B 63, 073109 (2001). DOI: 10.1103/PhysRevB.63.073109

K. Slabkowska, F. Pawlowski, and M. Polasik, Effect of L- and M-shell ionization on the K X-ray spectra parameters of sulphur, Acta Phys. Pol. B 31, 507–510 (2000).

S. Raj, H. C. Padhi, M. Polasik, F. Pawłowski, and D. K. Basa, Valence electronic structure of Fe and Ni in FexNi1−x alloys from relative K X-ray intensity studies, Solid State Communications 116, 563–567 (2000). DOI: 10.1016/S0038-1098(00)00380-X

F. Pawlowski, M. Polasik, S. Raj, and H. C. Padhi, K beta/K alpha X-ray intensity ratio studies on the valence electronic states of 3d-transition metals in some of their compounds, Acta Phys. Pol. B 31, 495–499 (2000).

U. Majewska, J. Braziewicz, D. Banas, M. Jaskola, T. Czyzewski, W. Kretschmer, K. Slabkowska, F. Pawlowski, and M. Polasik, Interpretation of K X-ray spectra from highly ionized sulphur projectiles passing through thin carbon foils, Acta Phys. Pol. B 31, 511–516 (2000).

S. Raj, H. C. Padhi, D. K. Basa, M. Polasik, and F. Pawłowski, Kβ-to-Kα X-ray intensity ratio studies on the changes of valence electronic structures of Ti, V, Cr, and Co in their disilicide compounds, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 152, 417–424 (1999). DOI: 10.1016/S0168-583X(99)00225-6