1. H. Stoll: Can Incremental Expansions Cope with High-Order Coupled-Cluster Contributions?, Mol. Phys. 108 (2010) 243
  2. E. Goll, H.-J. Werner and H. Stoll: Coupling of Short-Range Density-Functional with Long-Range Post-Hartree-Fock Methods, Z. Phys. Chem. 224 (2010) 481
  3. P. Sebald, H. Vennekate, R. Oswald, P. Botschwina and H. Stoll: A Theoretical Study of ZnH2, a Case of Very Strong Darling-Dennison Resonance, Mol. Phys. 108 (2010) 487
  4. S. Santra, H. Stoll and G. Rauhut: The Simultaneous Adsorption of Benzene and Dioxygen in CuHY-Zeolites as a Precursor Process of the Aerobic Oxidation of Benzene to Phenol, Phys. Chem. Chem. Phys. 12 (2010) 6345
  5. S. Chabbal, H. Stoll, H.-J. Werner and Th. Leininger: Analytic Gradients for the Combined sr-DFT/lr-MP2 Method: Application to Weakly Bound Systems, Mol. Phys. 108 (2010) 3373
  6. B. Paulus and H. Stoll: The Method of Increments -- a Wavefunction-Based Correlation Method for Extended Systems in: Accurate Condensed-Phase Quantum Chemistry (F.R. Manby, ed.), p. 57, CRC Press, Boca Raton (2010)
  7. S. Chabbal, D. Jacquemin, C. Adamo, H. Stoll and Th. Leininger: Bond Length Alternation of Conjugated Oligomers: Another Step on the Fifth Rung of Perdew's Ladder of Functional, J. Chem. Phys. 133 (2010) 151104
  8. H. Stoll and K. Doll: Extrapolating Wavefunction-Based Ab-Initio Results from Finite Clusters to the Bulk Solid - The Case of Group 1 and 11 Metals (Li, Cu), Chem. Phys. Lett. 501 (2011) 283
  9. R.A. Mata and H. Stoll: An Incremental Correlation Approach to Excited State Energies Based on Natural Transition/Localized Orbitals, J. Chem. Phys. 134 (2011) 034122
  10. A. Stoyanova, L. Hozoi, P. Fulde and H. Stoll: Wavefunction-Based Approach to Quasiparticle Bands: Insight into the Electronic Structure of c-ZnS, Phys. Rev. B 83 (2011) 205119
  11. C. Müller, D. Usvyat and H. Stoll: Local Correlation Methods for Solids: Comparison of Incremental and Periodic Correlation Calculations for the Argon fcc Crystal, Phys. Rev. B 83 (2011) 245136
  12. K.A. Peterson, C. Krause, H. Stoll, J.G. Hill, and H.-J. Werner: Application of Explicitly Correlated Coupled-Cluster Methods to Molecules Containing Post-3d Main Group Elements, Mol. Phys. 109 (2011) 2607
  13. H. Stoll and K. Doll: Approaching the Bulk Limit with Finite Cluster Calculations Using Local Increments - the Case of LiH, J. Chem. Phys. 136 (2012) 074106
  14. V.M. Katukuri, H. Stoll, J. van den Brink, and L. Hozoi: Ab-Initio Determination of Excitation Energies and Magnetic Couplings in Correlated Quasi-Two-Dimensional Iridates, Phys. Rev. B 85 (2012) 220402(R)
  15. N.A. Bogdanov, V.M. Katukuri, H. Stoll, J. van den Brink, and L. Hozoi: Post-Perovskite CaIrO3: A j=1/2 Quasi-One-Dimensional Antiferromagnet, Phys. Rev. B 85 (2012) 235147
  16. K.A. Peterson, D.A. Dixon, and H. Stoll: The Use of Explicitly Correlated Methods on XeF6 Predicts a C3v Minimum with a Sterically Active, Free Valence Electron Pair on Xe, J. Phys. Chem. A 116 (2012) 9777
  17. C. Lauzin, E. Cauët, J. Demaison, M. Herman, H. Stoll, and J. Liévin: Accurate Ground-State Potential Energy Surfaces of the C2H2-Kr and C2H2-Xe van der Waals Complexes, Mol. Phys. 110 (2012) 2751
  18. H. Stoll, P. Fuentealba, and L. v. Szentpály: Comment on "Going Beyond the Frozen Core Approximation: Development of Coordinate-Dependent Pseudopotentials and Application to Na2+" [J. Chem. Phys. 138, 054110 (2013)], J. Chem. Phys. 139 (2013) 147101
  19. C. Stein, R. Oswald, P. Sebald, P. Botschwina, H. Stoll, and K.A. Peterson: Accurate Bond Dissociation Energies (D0) for FHF- isotopologues, Mol. Phys. 111 (2013) 2647
  20. A. Lupascu, J.P. Clancy, H. Gretarsson, Z. Nie, J. Nichols, J. Terzic, G. Cao, S.S.A. Seo, Z. Islam, M.H. Upton, J. Kim, D. Casa, T. Gog, A.H. Said, V.M. Katukuri, H. Stoll, L. Hozoi, J. van den Brink, and Y.-J. Kim: Tuning Magnetic Coupling in Sr2IrO4 Thin Films with Epitaxial Strain, Phys. Rev. Lett. 112 (2014) 147201
  21. V.M. Katukuri, K. Roszeitis, V. Yushankhai, A. Mitrushchenkov, H. Stoll, M. van Veenendaal, P. Fulde, J. van den Brink, and L. Hozoi: Electronic Structure of Low-Dimensional 4d5 Oxides: Interplay of Ligand Distortions, Overall Lattice Anisotropy, and Spin-Orbit Interactions, Inorg. Chem. 53 (2014) 4833
  22. A. Stoyanova, A.O. Mitrushchenkov, L. Hozoi, H. Stoll, and P. Fulde: Electron Correlation Effects in Diamond: A Wave-Function Quantum-Chemistry Study of the Quasiparticle Band Structure, Phys. Rev. B 89 (2014) 235121
  23. M.P. de Lara-Castells, H. Stoll, and A.O. Mitrushchenkov: Assessing the Performance of Dispersionless and Dispersion-Accounting Methods: Helium Interaction with Cluster Models of the TiO2(110) Surface, J. Phys. Chem. A 118 (2014) 6367
  24. H. Stoll: Filling the Gap between Pseudopotential and All-Electron Schemes: Frozen-Core Calculations with Efficient Use of Density-Fitting, J. Chem. Theory Comput. 10 (2014) 3857
  25. M.P. de Lara-Castells, H. Stoll, B. Civalleri, M. Causà, E. Voloshina, A.O. Mitrushchenkov, and M. Pi: Communication: A Combined Periodic Density Functional and Incremental Wave-Function-Based Approach for the Dispersion-Accounting Time-Resolved Dynamics of 4He Nanodroplets on Surfaces: 4He/Graphene, J. Chem. Phys. 141 (2014) 151102
  26. M.P. de Lara-Castells, N.F. Aguirre, H. Stoll, A.O. Mitrushchenkov, D. Mateo, and M. Pi: Communication: Unraveling the 4He Droplet-Mediated Soft-Landing from Ab-Initio Assisted and Time-Resolved Density Functional Simulations: Au@4He300/TiO2(110), J. Chem. Phys. 142 (2015) 131101
  27. V.M. Katukuri, S. Nishimoto, I. Rousochatzakis, H. Stoll, J. van den Brink, and L. Hozoi: Strong Magnetic Frustration and Anti-Site Disorder Causing Spin-Glass Behavior in Honeycomb Li2RhO3, Sci. Rep. 5 (2015) 14718
  28. M.P. de Lara-Castells, A.O. Mitrushchenkov, and H. Stoll: Combining Density Functional and Incremental post-Hartree-Fock Approaches for van der Waals Dominated Adsorbate-Surface Interactions: Ag2/Graphene, J. Chem. Phys. 143 (2015) 102804
  29. M.P. de Lara-Castells, M. Bartolomei, A.O. Mitrushchenkov, and H. Stoll: Transferability and Accuracy by Combining Dispersionless Density Functional and Incremental post-Hartree-Fock Theories: Noble Gases Adsorption on Coronene/Graphene/Graphite Surfaces, J. Chem. Phys. 143 (2015) 194701
  30. S. Nishimoto, V.M. Katukuri, V. Yushankhai, H. Stoll, U.K. Rößler, L. Hozoi, I. Rousochatzakis, and J. van den Brink: Strongly frustrated triangular spin lattice emerging from triplet dimer formation in honeycomb Li2IrO3, Nature Commun. 7 (2016) 10273
  31. H. Stoll: All-Electron-Derived Pseudopotentials for Embedding: The Polarisability of the Iodine Anion in a Water Cage, Mol. Phys. 114 (2016) 941
  32. N.A. Bogdanov, V. Bisogni, R. Kraus, C. Monney, K. Zhou, Th. Schmitt, J. Geck, A.O. Mitrushchenkov, H. Stoll, J. van den Brink, and L. Hozoi: Orbital Breathing Effects in the Computation of X-Ray d-Ion Spectra in Solids by Ab Initio Wave-Function-Based Methods, J. Phys. Condens. Matter 29 (2017) 035502
  33. P. Fulde and H. Stoll: Dealing with the Exponential Wall in Electronic Structure Calculations, J. Chem. Phys. 146 (2017) 194107
  34. P.P. Hallmen, C. Köppl, G. Rauhut, H. Stoll, and J. van Slageren: Fast and Reliable Ab Initio Calculation of Crystal Field Splittings in Lanthanide Complexes, J. Chem. Phys. 147 (2017) 164101
  35. M. Wiatr, P. Jasik, T. Kilich, J.E. Sienkiewicz, and H. Stoll: Quasirelativistic Potential Energy Curves and Transition Dipole Moments of NaRb, Chem. Phys. 500 (2018) 80
  36. P. Zhang, M. Perfetti, M. Kern, P.P. Hallmen, L. Ungur, S. Lenz, M.R. Ringenberg, W. Frey, H. Stoll, G. Rauhut, and J. van Slageren: Exchange Coupling and Single Molecule Magnetism in Redox-Active Tetraoxolene-Bridged Dilanthanide Complexes, Chem. Sci. 9 (2018) 1221
  37. P.P. Hallmen, G. Rauhut, H. Stoll, A.O. Mitrushchenkov, and J. van Slageren: Crystal Field Splittings in Lanthanide Complexes: Inclusion of Correlation Effects beyond Second Order Perturbation Theory, J. Chem. Theory Comput. 14 (2018) 3998
  38. L. v. Szentpály, W.H.E. Schwarz, H. Stoll, and H.-J. Werner: Correspondence on "Core Electron Topologies in Chemical Compounds: Case Study of Carbon versus Silicon", Angew. Chem. Int. Ed. 58 (2019) 10404; Angew. Chem. 131 (2019) 10512
  39. P.P. Hallmen, H.-J. Werner, D. Kats, S. Lenz, G. Rauhut, H. Stoll, and J. van Slageren: Toward Fast and Accurate Ab Initio Calculation of Magnetic Exchange in Poynuclear Lanthanide Complexes, Phys. Chem. Chem. Phys. 21 (2019) 9769
  40. H. Stoll: Toward a Wavefunction-Based Treatment of Strong Electron Correlation in Extended Systems by Means of Incremental Methods, J. Chem. Phys. 151 (2019) 044104
  41. Z.-L. Wang, H.-S. Hu, L. v. Szentpály, H. Stoll, S. Fritzsche, P. Pyykkö, W.H.E. Schwarz, and J. Li: Understanding the Uniqueness of 2p Elements in Periodic Tables , Chem. Eur. J. 26 (2020) 15558