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Werner, Hans-Joachim

University of Stuttgart

0H-index
2Paper Count
3Citation Count
Published Papers 116
Publication Date
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40th anniversary of the German Society of Geriatrics (DGG)-In demand, matured, strengthened (vol 58, pg 405, 2025)
errZeitschrift fur Gerontologie und Geriatrie
IF1
err2026-01-01
err0
PREAI
errHofmann, W.; Grund, S.; Wirth, R.; Bauer, J. M.; Heppner, H. J.; Thiem, U.; Becher, K.; Benzinger, P.; Gassmann, K. -g.; Gosch, M.; Hardt, R.; Krause, O.; Kolb, G.; Kwetkat, A.; Meisel, M.; Naurath, H. -J.; Nehen, H. G.; Neubart, R.; Lucke, C.; Luttje, D.; Pullen, R.; Schulz, R. -J.; Sieber, C.; Singler, K.; Swoboda, W.; Vogel, W.; Werner, H.; Denkinger, M.
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Accurate Calculation of Noncovalent Interactions Using PNO-LCCSD(T)-F12 in Molpro
errJOURNAL OF PHYSICAL CHEMISTRY A
IF2.8
err2025-05-19
err0
PREAI
errHansen, Andreas; Knowles, Peter J.; Werner, Hans-Joachim
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A density-fitting implementation of the density-based basis-set correction method
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-02-13
err5
errOAAI
errHesselmann, Andreas; Giner, Emmanuel; Reinhardt, Peter; Knowles, Peter J.; Werner, Hans-Joachim; Toulouse, Julien
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Hibridon: A program suite for time-independent non-reactive quantum scattering calculations
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2023-08-01
err14
errOAAI
errAlexander, M. H.; Dagdigian, P. J.; Werner, H. -J.; Klos, J.; Desrousseaux, B.; Raffy, G.; Lique, F.
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Accurate Calculation of Isomerization and Conformational Energies of Larger Molecules Using Explicitly Correlated Local Coupled Cluster Methods in Molpro and ORCA
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-07-24
err18
PREAI
errWerner, Hans-Joachim; Hansen, Andreas
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Thermochemical evaluation of adaptive and fixed density functional theory quadrature schemes
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-12-15
err0
errOAAI
errHesselmann, Andreas; Werner, Hans-Joachim; Knowles, Peter J.
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A combined first- and second-order optimization method for improving convergence of Hartree-Fock and Kohn-Sham calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-06-02
err2
PREAI
errKreplin, David A.; Werner, Hans-Joachim
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errSave
Scalable Electron Correlation Methods. 8. Explicitly Correlated Open-Shell Coupled-Cluster with Pair Natural Orbitals PNO-RCCSD(T)-F12 and PNO-UCCSD(T)-F12
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-01-06
err33
PREAI
errMa, Qianli; Werner, Hans-Joachim
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errSave
The Molpro quantum chemistry package
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-04-13
err863
errOAAI
errWerner, Hans-Joachim; Knowles, Peter J.; Manby, Frederick R.; Black, Joshua A.; Doll, Klaus; Hesselmann, Andreas; Kats, Daniel; Koehn, Andreas; Korona, Tatiana; Kreplin, David A.; Ma, Qianli; Miller, Thomas F., III; Mitrushchenkov, Alexander; Peterson, Kirk A.; Polyak, Iakov; Rauhut, Guntram; Sibaev, Marat
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Scalable Electron Correlation Methods. 7. Local Open-Shell Coupled-Cluster Methods Using Pair Natural Orbitals: PNO-RCCSD and PNO-UCCSD
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-04-10
err28
PREAI
errMa, Qianli; Werner, Hans Joachim
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errSave
MCSCF optimization revisited. II. Combined first- and second-order orbital optimization for large molecules
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-02-19
err56
errOAAI
errKreplin, David A.; Knowles, Peter J.; Werner, Hans-Joachim
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errSave
Correspondence on Core Electron Topologies in Chemical Compounds: Case Study of Carbon versus Silicon
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2019-07-09
err3
PREAI
errvon Szentpaly, Laszlo; Schwarz, W. H. Eugen; Stoll, Hermann; Werner, Hans-Joachim
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Multi-state local complete active space second-order perturbation theory using pair natural orbitals (PNO-MS-CASPT2)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-06-05
err23
PREAI
errKats, Daniel; Werner, Hans-Joachim
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errSave
Second-order MCSCF optimization revisited. I. Improved algorithms for fast and robust second-order CASSCF convergence
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-05-20
err95
errOAAI
errKreplin, David A.; Knowles, Peter J.; Werner, Hans-Joachim
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errSave
Perturbation Expansion of Internally Contracted Coupled-Cluster Theory up to Third Order
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-02-22
err16
PREAI
errAoto, Yuri Alexandre; Bargholz, Arne; Kats, Daniel; Werner, Hans-Joachim; Koehn, Andreas
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errSave
Accurate Intermolecular Interaction Energies Using Explicitly Correlated Local Coupled Cluster Methods [PNO-LCCSD(T)-F12]
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-01-09
err39
PREAI
errMa, Qianli; Werner, Hans-Joachim
errShare
errSave
Scalable Electron Correlation Methods. 6. Local Spin-Restricted Open-Shell Second-Order Moller-Plesset Perturbation Theory Using Pair Natural Orbitals: PNO-RMP2
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-12-20
err16
PREAI
errKrause, Christine; Werner, Hans-Joachim
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errSave
Scalable Electron Correlation Methods. 4. Parallel Explicitly Correlated Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD-F12) (vol 13, pg 4871, 2017)
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-11-08
err4
PREAI
errMa, Qianli; Schwilk, Max; Koeppl, Christoph; Werner, Hans-Joachim
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Explicitly correlated local coupled-cluster methods using pair natural orbitals
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2018-07-11
err169
PREAI
errMa, Qianli; Werner, Hans-Joachim
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errSave
Analytical energy gradients for explicitly correlated wave functions. II. Explicitly correlated coupled cluster singles and doubles with perturbative triples corrections: CCSD(T)-F12
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-03-15
err62
PREAI
errGyorffy, Werner; Werner, Hans-Joachim
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Research Directions

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Co-authors
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Jürgen Gauß
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Peter G. Jones
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Pekka Pyykkö
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