List of publications using the CASINO quantum Monte Carlo code

If you notice errors or omissions then please email either Mike Towler ("mdt26", followed by "@", followed by "cantab.net"), Neil Drummond ("n.drummond", followed by "@", followed by "lancaster.ac.uk") or Pablo López Ríos ("pl275", followed by "@", followed by "cam.ac.uk"). Thanks!

[1] J. Li, N. D. Drummond, P. Schuck and V. Olevano, Comparing many-body approaches against the helium atom exact solution, SciPost Phys. 6, 40 (2019). [ DOI | http ]
[2] D. M. Thomas, R. J. Hunt, N. D. Drummond and M. Hayne, Binding energies of excitonic complexes in type-II quantum rings from diffusion quantum Monte Carlo calculations, Phys. Rev. B 99, 115306 (2019). [ DOI | http ]
[3] V. Konkov and R. Peverati, QMC-SW: A simple workflow for quantum Monte Carlo calculations in chemistry, SoftwareX 9, 7 (2019). [ DOI | http ]
[4] B. G. A. Brito, G.-Q. Hai and L. Cândido, Quantum Monte Carlo study on the structures and energetics of cyclic and linear carbon clusters Cn (n=1,...,10), Phys. Rev. A 98, 062508 (2018). [ DOI | http ]
[5] M. Ruggeri, P. López Ríos and A. Alavi, Correlation energies of the high-density spin-polarized electron gas to meV accuracy, Phys. Rev. B 98, 161105 (2018). [ DOI | http ]
[6] M. A. Flores, W. Orellana and E. Menéndez-Proupin, Accuracy of the Heyd-Scuseria-Ernzerhof hybrid functional to describe many-electron interactions and charge localization in semiconductors, Phys. Rev. B 98, 155131 (2018). [ DOI | http ]
[7] V. Ashokan, N. D. Drummond and K. N. Pathak, One-dimensional electron fluid at high density, Phys. Rev. B 98, 125139 (2018). [ DOI | http ]
[8] R. J. Hunt, M. Szyniszewski, G. I. Prayogo, R. Maezono and N. D. Drummond, Quantum Monte Carlo calculations of energy gaps from first principles, Phys. Rev. B 98, 075122 (2018). [ DOI | http ]
[9] K. Doblhoff-Dier, G.-J. Kroes and F. Libisch, Density functional embedding for periodic and nonperiodic diffusion Monte Carlo calculations, Phys. Rev. B 98, 085138 (2018). [ DOI | http ]
[10] B. Monserrat, N. D. Drummond, P. Dalladay-Simpson, R. T. Howie, P. López Ríos, E. Gregoryanz, C. J. Pickard and R. J. Needs, Structure and metallicity of phase V of hydrogen, Phys. Rev. Lett. 120, 255701 (2018). [ DOI | http ]
[11] M. Danovich, D. A. Ruiz-Tijerina, R. J. Hunt, M. Szyniszewski, N. D. Drummond and V. I. Fal'ko, Localized interlayer complexes in heterobilayer transition metal dichalcogenides, Phys. Rev. B 97, 195452 (2018). [ DOI | http ]
[12] S. Azadi and T. D. Kühne, Quantum Monte Carlo calculations of van der Waals interactions between aromatic benzene rings, Phys. Rev. B 97, 205428 (2018). [ DOI | http ]
[13] P. López Ríos, A. Perali, R. J. Needs and D. Neilson, Evidence from quantum Monte Carlo simulations of large-gap superfluidity and BCS-BEC crossover in double electron-hole layers, Phys. Rev. Lett. 120, 177701 (2018). [ DOI | http ]
[14] O. Witham, R. J. Hunt and N. D. Drummond, Stability of trions in coupled quantum wells modeled by two-dimensional bilayers, Phys. Rev. B 97, 075424 (2018). [ DOI | http ]
[15] V. Ashokan, R. Bala, K. Morawetz and K. N. Pathak, Dependence of structure factor and correlation energy on the width of electron wires, Eur. Phys. J. B 91, 29 (2018). [ DOI | http ]
[16] H. Hao, J. Shee, S. Upadhyay, C. Ataca, K. D. Jordan and B. M. Rubenstein, Accurate predictions of electron binding energies of dipole-bound anions via quantum Monte Carlo methods, J. Phys. Chem. Letters 9, 6185 (2018). [ DOI | http ]
[17] A. Zen, J. G. Brandenburg, J. Klimeš, A. Tkatchenko, D. Alfè and A. Michaelides, Fast and accurate quantum Monte Carlo for molecular crystals, Proc. Natl. Acad. Sci. U.S.A. 115, 1724 (2018). [ DOI | http ]
[18] A. Hou, X. Zhou, T. Wang and F. Wang, Fixed-node diffusion quantum Monte Carlo method on dissociation energies and their trends for R-X bonds (R=Me, Et, i-Pr, t-Bu), J. Phys. Chem. A 122, 5050 (2018). [ DOI | http ]
[19] A. G. Green, G. Conduit and F. Krüger, Quantum order-by-disorder in strongly correlated metals, Annu. Rev. Condens. Matter Phys. 9, 59 (2018). [ DOI | http ]
[20] B. Brito, G.-Q. Hai and L. Cândido, Analysis of the ionization potentials of small superalkali lithium clusters based on quantum Monte Carlo simulations, Chem. Phys. Lett. 708, 54 (2018). [ DOI | http ]
[21] E. M. Isaac Moreira, B. G. A. Brito, J. Higino Damasceno, J. N. Teixeira Rabelo, G.-Q. Hai and L. Cândido, Quantum Monte Carlo study of the electron binding energies and aromaticity of small neutral and charged boron clusters, J. Chem. Phys. 149, 214303 (2018). [ DOI | http ]
[22] R. O. Sharma, L. K. Saini and B. P. Bahuguna, Phase diagram of a symmetric electron-hole bilayer system: a variational Monte Carlo study, J. Phys. Condens. Mater. 30, 185404 (2018). [ http ]
[23] S. Azadi, R. Singh and T. D. Kühne, Nuclear quantum effects induce metallization of dense solid molecular hydrogen, J. Comp. Chem. 39, 262 (2017). [ DOI | http ]
[24] L. M. Schonenberg, P. C. Verpoort and G. J. Conduit, Effective-range dependence of two-dimensional Fermi gases, Phys. Rev. A 96, 023619 (2017). [ DOI | http ]
[25] E. Mostaani, M. Szyniszewski, C. H. Price, R. Maezono, M. Danovich, R. J. Hunt, N. D. Drummond and V. I. Fal'ko, Diffusion quantum Monte Carlo study of excitonic complexes in two-dimensional transition-metal dichalcogenides, Phys. Rev. B 96, 075431 (2017). [ DOI | http ]
[26] K. Doblhoff-Dier, J. Meyer, P. E. Hoggan and G.-J. Kroes, Quantum Monte Carlo calculations on a benchmark molecule--metal surface reaction: H2+Cu(111), J. Chem. Theory Comput. 13, 3208 (2017). [ DOI | http ]
[27] J. Trail, B. Monserrat, P. López Ríos, R. Maezono and R. J. Needs, Quantum Monte Carlo study of the energetics of the rutile, anatase, brookite, and columbite TiO2 polymorphs, Phys. Rev. B 95, 121108 (2017). [ DOI | http ]
[28] M. Szyniszewski, E. Mostaani, N. D. Drummond and V. I. Fal'ko, Binding energies of trions and biexcitons in two-dimensional semiconductors from diffusion quantum Monte Carlo calculations, Phys. Rev. B 95, 081301 (2017). [ DOI | http ]
[29] J. Hermann, D. Alfè and A. Tkatchenko, Nanoscale π-π stacked molecules are bound by collective charge fluctuations, Nat. Commun. 8, 14052 (2017). [ http ]
[30] B. G. A. Brito, G.-Q. Hai and L. Cândido, A quantum Monte Carlo study of the structural and electronic properties of small cationic and neutral lithium clusters, J. Chem. Phys. 146, 174306 (2017). [ DOI | http ]
[31] S. Azadi, N. D. Drummond and W. M. C. Foulkes, Nature of the metallization transition in solid hydrogen, Phys. Rev. B 95, 035142 (2017). [ DOI | http ]
[32] S. Nasiri and M. Zahedi, A benchmark study of Li2+, Li2-, LiH+ and LiH-: Quantum Monte-Carlo and coupled-cluster computations, Comput. Theor. Chem. 1114, 106 (2017). [ DOI | http ]
[33] S. Nasiri and M. Zahedi, Coupled cluster and quantum Monte-Carlo potential energy curves of the ground state of Be2 and Be2+ molecules, Comput. Theor. Chem. 1112, 27 (2017). [ DOI | http ]
[34] R. O. Sharma, L. K. Saini and B. P. Bahuguna, Diffusion Monte Carlo study of excitons and biexcitons in a mass-asymmetric electron-hole bilayer, Phys. Chem. Chem. Phys. 19, 20778 (2017). [ DOI | http ]
[35] X. Zhou and F. Wang, Barrier heights of hydrogen-transfer reactions with diffusion quantum Monte Carlo method, J. Comp. Chem. 38, 798 (2017). [ DOI | http ]
[36] S. Azadi and T. D. Kühne, High-pressure hydrogen sulfide by diffusion quantum Monte Carlo, J. Chem. Phys. 146, 084503 (2017). [ DOI | http ]
[37] T. Ichibha, Z. Hou, K. Hongo and R. Maezono, New insight into the ground state of FePc: A diffusion Monte Carlo study, Sci. Rep. 7, 2011 (2017). [ DOI | http ]
[38] L. M. Schonenberg and G. J. Conduit, Effective-range dependence of resonant Fermi gases, Phys. Rev. A 95, 013633 (2017). [ DOI | http ]
[39] H.-W. Lee, C.-M. Chang and C.-R. Hsing, Puzzle of magnetic moments of Ni clusters revisited using quantum Monte Carlo method, J. Chem. Phys. 146, 084313 (2017). [ DOI | http ]
[40] B. Vlaisavljevich, J. Huck, Z. Hulvey, K. Lee, J. A. Mason, J. B. Neaton, J. R. Long, C. M. Brown, D. Alfè, A. Michaelides and B. Smit, Performance of van der Waals corrected functionals for guest adsorption in the M2(dobdc) metal-organic frameworks, J. Phys. Chem. A 121, 4139 (2017). [ DOI | http ]
[41] T. Tsatsoulis, F. Hummel, D. Usvyat, M. Schütz, G. H. Booth, S. S. Binnie, M. J. Gillan, D. Alfè, A. Michaelides and A. Grüneis, A comparison between quantum chemistry and quantum Monte Carlo techniques for the adsorption of water on the (001) LiH surface, J. Chem. Phys. 146, 204108 (2017). [ DOI | http ]
[42] J. R. Trail and R. J. Needs, Shape and energy consistent pseudopotentials for correlated electron systems, J. Chem. Phys. 146, 204107 (2017). [ DOI | http ]
[43] J. T. Krogel and P. R. C. Kent, Magnitude of pseudopotential localization errors in fixed node diffusion quantum Monte Carlo, J. Chem. Phys. 146, 244101 (2017). [ DOI | http ]
[44] K. Saritas, T. Mueller, L. Wagner and J. C. Grossman, Investigation of a quantum Monte Carlo protocol to achieve high accuracy and high-throughput materials formation energies, J. Chem. Theory Comput. 13, 1943 (2017). [ DOI | http ]
[45] K. Saritas and J. C. Grossman, Accurate isomerization enthalpy and investigation of the errors in density functional theory for dihydroazulene/vinylheptafulvene photochromism using diffusion Monte Carlo, J. Phys. Chem. C 121, 26677 (2017). [ DOI | http ]
[46] Y. S. Al-Hamdani, M. Rossi, D. Alfè, T. Tsatsoulis, B. Ramberger, J. G. Brandenburg, A. Zen, G. Kresse, A. Grüneis, A. Tkatchenko and A. Michaelides, Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy, J. Chem. Phys. 147, 044710 (2017). [ DOI | http ]
[47] Y. S. Al-Hamdani, D. Alfè and A. Michaelides, How strongly do hydrogen and water molecules stick to carbon nanomaterials?, J. Chem. Phys. 146, 094701 (2017). [ DOI | http ]
[48] K. Hongo and R. Maezono, A computational scheme to evaluate Hamaker constants of molecules with practical size and anisotropy, J. Chem. Theory Comput. 13, 5217 (2017). [ DOI | http ]
[49] J. Chen, A. Zen, J. G. Brandenburg, D. Alfè and A. Michaelides, Evidence for stable square ice from quantum Monte Carlo, Phys. Rev. B 94, 220102 (2016). [ DOI | http ]
[50] R. O. Sharma, L. K. Saini and B. P. Bahuguna, Ground state properties of electron-hole bilayer: Mass-asymmetric effect, Phys. Rev. B 94, 205435 (2016). [ DOI | http ]
[51] N. D. Drummond, J. R. Trail and R. J. Needs, Trail-Needs pseudopotentials in quantum Monte Carlo calculations with plane-wave/blip basis sets, Phys. Rev. B 94, 165170 (2016). [ DOI | http ]
[52] G. G. Spink, P. López Ríos, N. D. Drummond and R. J. Needs, Trion formation in a two-dimensional hole-doped electron gas, Phys. Rev. B 94, 041410 (2016). [ DOI | http ]
[53] T. M. Whitehead, M. H. Michael and G. J. Conduit, Jastrow correlation factor for periodic systems, Phys. Rev. B 94, 035157 (2016). [ DOI | http ]
[54] A. Zen, S. Sorella, M. J. Gillan, A. Michaelides and D. Alfè, Boosting the accuracy and speed of quantum Monte Carlo: Size consistency and time step, Phys. Rev. B 93, 241118 (2016). [ DOI | http ]
[55] T. M. Whitehead, L. M. Schonenberg, N. Kongsuwan, R. J. Needs and G. J. Conduit, Pseudopotential for the two-dimensional contact interaction, Phys. Rev. A 93, 042702 (2016). [ DOI | http ]
[56] R. Nazarov, L. Shulenburger, M. Morales and R. Q. Hood, Benchmarking the pseudopotential and fixed-node approximations in diffusion Monte Carlo calculations of molecules and solids, Phys. Rev. B 93, 094111 (2016). [ DOI | http ]
[57] T. M. Whitehead and G. J. Conduit, Pseudopotentials for an ultracold dipolar gas, Phys. Rev. A 93, 022706 (2016). [ DOI | http ]
[58] S. A. Ekong and D. A. Oyegoke, QMC calculations of total energy and bond length of some polyatomic organic molecules, International Letters of Chemistry, Physics and Astronomy 64, 63 (2016).
[59] N. L. Moreira, B. G. A. Brito, J. N. T. Rabelo and L. Cândido, Quantum Monte Carlo study of the energetics of small hydrogenated and fluoride lithium clusters, J. Comp. Chem. 37, 1531 (2016). [ DOI | http ]
[60] E. Mostaani, B. Monserrat, N. D. Drummond and C. J. Lambert, Quasiparticle and excitonic gaps of one-dimensional carbon chains, Phys. Chem. Chem. Phys. 18, 14810 (2016). [ DOI | http ]
[61] J. Higino Damasceno, J. N. Teixeira Rabelo and L. Cândido, Electron correlation effects in all-metal aromatic clusters: A quantum Monte Carlo study, Inorg. Chem. 55, 7442 (2016). [ DOI | http ]
[62] A. D. Powell and R. Dawes, Calculating potential energy curves with fixed-node diffusion Monte Carlo: CO and N2, J. Chem. Phys. 145, 224308 (2016). [ DOI | http ]
[63] A. Zen, L. M. Roch, S. J. Cox, X. L. Hu, S. Sorella, D. Alfè and A. Michaelides, Toward accurate adsorption energetics on clay surfaces, J. Phys. Chem. C 120, 26402 (2016). [ DOI | http ]
[64] S. Azadi and R. E. Cohen, Low-pressure phase diagram of crystalline benzene from quantum Monte Carlo, J. Chem. Phys. 145, 064501 (2016). [ DOI | http ]
[65] K. Doblhoff-Dier, J. Meyer, P. E. Hoggan, G.-J. Kroes and L. K. Wagner, Diffusion Monte Carlo for accurate dissociation energies of 3d transition metal containing molecules, J. Chem. Theory Comput. 12, 2583 (2016). [ DOI | http ]
[66] E. Mostaani, N. D. Drummond and V. I. Fal'ko, Quantum Monte Carlo calculation of the binding energy of bilayer graphene, Phys. Rev. Lett. 115, 115501 (2015). [ DOI | http ]
[67] S. A. Ekong, V. A. Akpan and O. Ebomwonyi, DMC and VMC calculations of the electric dipole moment and the ground-state total energy of hydrazine molecule using CASINO-code, Int. Lett. of Chem., Phys. and Astron. 59, 106 (2015). [ DOI ]
[68] J. H. Lloyd-Williams, R. J. Needs and G. J. Conduit, Pseudopotential for the electron-electron interaction, Phys. Rev. B 92, 075106 (2015). [ DOI | http ]
[69] N. D. Drummond, B. Monserrat, J. H. Lloyd-Williams, P. López Ríos, C. J. Pickard and R. J. Needs, Quantum Monte Carlo study of the phase diagram of solid molecular hydrogen at extreme pressures, Nat. Commun. 6, 7794 (2015). [ http ]
[70] B. Ganchev, N. Drummond, I. Aleiner and V. Fal'ko, Three-particle complexes in two-dimensional semiconductors, Phys. Rev. Lett. 114, 107401 (2015). [ DOI | http ]
[71] W. D. Parker, C. Umrigar, D. Alfè, F. Petruzielo, R. G. Hennig and J. W. Wilkins, Comparison of polynomial approximations to speed up planewave-based quantum Monte Carlo calculations, J. Comput. Phys. 287, 77 (2015). [ DOI | http ]
[72] S. A. Ekong, M. T. Oloye and D. A. Oyegoke, Ground-state energy calculation of helium atom using quantum Monte Carlo CASINO-code, Advances in Physics Theories and Applications 46 (2015).
[73] S. Nasiri and M. Zahedi, Accurate potential energy curves of Li2 and LiH: A quantum Monte-Carlo (QMC) study, Chem. Phys. Lett. 634, 101 (2015). [ DOI | http ]
[74] S. A. Ekong, V. A. Akpan and D. A. Oyegoke, Closed-shell variational quantum Monte Carlo simulation for the electric dipole moment calculation of hydrazine molecule using CASINO code, Nigeria Journal of Pure and Applied Physics 6, 1 (2015).
[75] M. J. Gillan, D. Alfè and F. R. Manby, Energy benchmarks for methane-water systems from quantum Monte Carlo and second-order Møller-Plesset calculations, J. Chem. Phys. 143, 102812 (2015). [ DOI | http ]
[76] J. Higino Damasceno, J. N. Teixeira Rabelo and L. Cândido, A quantum Monte Carlo study on electron correlation effects in small aluminum hydride clusters, New J. Chem. 39, 2195 (2015). [ DOI | http ]
[77] S. Azadi and W. M. C. Foulkes, Systematic study of finite-size effects in quantum Monte Carlo calculations of real metallic systems, J. Chem. Phys. 143, 102807 (2015). [ DOI | http ]
[78] S. Azadi and R. E. Cohen, Chemical accuracy from quantum Monte Carlo for the benzene dimer, J. Chem. Phys. 143, 104301 (2015). [ DOI | http ]
[79] Y. S. Al-Hamdani, M. Ma, D. Alfè, O. A. von Lilienfeld and A. Michaelides, Communication: Water on hexagonal boron nitride from diffusion Monte Carlo, J. Chem. Phys. 142, 181101 (2015). [ DOI | http ]
[80] M. O. Atambo, N. W. Makau, G. O. Amolo and R. Maezono, QMC and phonon study of super-hard cubic boron carbon nitride, Materials Research Express 2, 105902 (2015). [ http ]
[81] K. Hongo, M. A. Watson, T. Iitaka, A. Aspuru-Guzik and R. Maezono, Diffusion Monte Carlo study of para-diiodobenzene polymorphism revisited, J. Chem. Theory Comput. 11, 907 (2015). [ DOI | http ]
[82] P. O. Bugnion, P. López Ríos, R. J. Needs and G. J. Conduit, High-fidelity pseudopotentials for the contact interaction, Phys. Rev. A 90, 033626 (2014). [ DOI | http ]
[83] W. W. Tipton, N. D. Drummond and R. G. Hennig, Importance of high-angular-momentum channels in pseudopotentials for quantum Monte Carlo, Phys. Rev. B 90, 125110 (2014). [ DOI | http ]
[84] N. S. Blunt, T. W. Rogers, J. S. Spencer and W. M. C. Foulkes, Density-matrix quantum Monte Carlo method 89, 245124 (2014). [ DOI ]
[85] P.-F. Loos, Generalized local-density approximation and one-dimensional finite uniform electron gases, Phys. Rev. A 89, 052523 (2014). [ DOI | http ]
[86] S. Azadi, B. Monserrat, W. M. C. Foulkes and R. J. Needs, Dissociation of high-pressure solid molecular hydrogen: A quantum Monte Carlo and anharmonic vibrational study, Phys. Rev. Lett. 112, 165501 (2014). [ DOI | http ]
[87] Y. Yamada, Y. Kita, M. Tachikawa, M. D. Towler and R. J. Needs, Quantum Monte Carlo and high-level ab initio molecular orbital investigation of dissociation channels of the positronic alkali-metal hydrides, [XH;e+] (X=Li, Na, and K), Eur. Phys. J. D 68, 63 (2014). [ DOI | http ]
[88] G. L. Weerasinghe, P. L. Ríos and R. J. Needs, Compression algorithm for multideterminant wave functions, Phys. Rev. E 89, 023304 (2014). [ DOI | http ]
[89] P. Hoggan and A. Bouferguene, Chapter 5 - relative advantages of quantum Monte Carlo simulation for changing electron correlation: Co reactions on copper and platinum catalysts, in P. Hoggan, ed., Proceedings of MEST 2012: Electronic structure methods with applications to experimental chemistry, vol. 68 of Adv. Quantum Chem., pp. 89 -- 103, Academic Press (2014). [ DOI | http ]
[90] J. Chen, X. Ren, X.-Z. Li, D. Alfè and E. Wang, On the room-temperature phase diagram of high pressure hydrogen: An ab initio molecular dynamics perspective and a diffusion Monte Carlo study, J. Chem. Phys. 141, 024501 (2014). [ DOI | http ]
[91] P.-F. Loos, C. J. Ball and P. M. W. Gill, Uniform electron gases. II. The generalized local density approximation in one dimension, J. Chem. Phys. 140, 18A524 (2014). [ DOI | http ]
[92] A. J. Misquitta, R. Maezono, N. D. Drummond, A. J. Stone and R. J. Needs, Anomalous nonadditive dispersion interactions in systems of three one-dimensional wires, Phys. Rev. B 89, 045140 (2014). [ DOI | http ]
[93] B. G. A. Brito, G.-Q. Hai, J. N. Teixeira Rabelo and L. Cândido, A quantum Monte Carlo study on electron correlation in all-metal aromatic clusters MAl4+ (M=Li Na K Rb Cu Ag and Au), Phys. Chem. Chem. Phys. 16, 8639 (2014). [ DOI | http ]
[94] O. Ebomwonyi, E. E. Enukpere, B. E. Iyorzor and M. I. Babalola, Variational Monte Carlo and diffusion Monte Carlo studies of the 1st and 2nd ionization energies of H2, Nig. Journal of App. Sc. 32, 87 (2014).
[95] A. Ambrosetti, D. Alfè, R. A. DiStasio and A. Tkatchenko, Hard numbers for large molecules: Toward exact energetics for supramolecular systems, J. Phys. Chem. Letters 5, 849 (2014). [ DOI | http ]
[96] B. Brito, L. Cândido, J. T. Rabelo and G.-Q. Hai, Binding energies of small lithium clusters: A comparison of different theoretical calculations, Chem. Phys. Lett. 616-617, 212 (2014). [ DOI | http ]
[97] D. Alfè, A. P. Bartók, G. Csányi and M. J. Gillan, Analyzing the errors of DFT approximations for compressed water systems, J. Chem. Phys. 141, 014104 (2014). [ DOI | http ]
[98] J. R. Trail and R. J. Needs, Comparison of smooth Hartree-Fock pseudopotentials, J. Chem. Theory Comput. 10, 2049 (2014). [ DOI | http ]
[99] S. J. Cox, M. D. Towler, D. Alfè and A. Michaelides, Benchmarking the performance of density functional theory and point charge force fields in their description of sI methane hydrate against diffusion Monte Carlo, J. Chem. Phys. 140, 174703 (2014). [ DOI | http ]
[100] D. Quigley, D. Alfè and B. Slater, Communication: On the stability of ice 0, ice i, and Ih, J. Chem. Phys. 141, 161102 (2014). [ DOI | http ]
[101] C.-R. Hsing, C. Cheng, J.-P. Chou, C.-M. Chang and C.-M. Wei, Van der Waals interaction in a boron nitride bilayer, New J. Phys. 16, 113015 (2014). [ http ]
[102] P. E. Hoggan and A. Bouferguène, Quantum Monte Carlo for activated reactions at solid surfaces: Time well spent on stretched bonds, Int. J. Quantum Chem. 114, 1150 (2014). [ DOI | http ]
[103] Y. S. Al-Hamdani, D. Alfè, O. A. von Lilienfeld and A. Michaelides, Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding, J. Chem. Phys. 141, 18C530 (2014). [ DOI | http ]
[104] C. R. Hsing, P. López Ríos, R. J. Needs and C. M. Wei, Quantum Monte Carlo studies of 13-atom simple metallic clusters, Phys. Rev. B 88, 165412 (2013). [ DOI | http ]
[105] G. G. Spink, R. J. Needs and N. D. Drummond, Quantum Monte Carlo study of the three-dimensional spin-polarized homogeneous electron gas, Phys. Rev. B 88, 085121 (2013). [ DOI | http ]
[106] N. D. Drummond and R. J. Needs, Quantum Monte Carlo calculation of the Fermi liquid parameters of the two-dimensional homogeneous electron gas, Phys. Rev. B 88, 035133 (2013). [ DOI | http ]
[107] S. Azadi and W. M. C. Foulkes, Fate of density functional theory in the study of high-pressure solid hydrogen, Phys. Rev. B 88, 014115 (2013). [ DOI | http ]
[108] P. O. Bugnion and G. J. Conduit, Ferromagnetic spin correlations in a few-fermion system, Phys. Rev. A 87, 060502 (2013). [ DOI | http ]
[109] R. Maezono, P. López Ríos, T. Ogawa and R. J. Needs, Excitons and biexcitons in symmetric electron-hole bilayers, Phys. Rev. Lett. 110, 216407 (2013). [ DOI | http ]
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