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R

Roland Lindh

uppsala university

68H-index
337Paper Count
2.2WCitation Count
Published Papers 104
Publication Date
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Spin-Adapted Restricted Open-Shell Hartree–Fock and Its Dynamic Correlation Extension
errJournal of Chemical Theory and Computation
IF5.5
err2026-05-15
err0
errOAAI
errMaru Song; Luca Bonfirraro; Ignacio Fdez. Galván; Roland Lindh; Giovanni Li Manni
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Accelerating SCF Orbital Optimization with S-GEK/RVO: Efficient Subspace Compression and Robust Convergence
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-12-01
err0
PREAI
errGalvan, Ignacio Fdez; Wessling, Daniel; Lindh, Roland
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Ultrafast electronic relaxation pathways of the molecular photoswitch quadricyclane
errNATURE CHEMISTRY
IF20.2
err2024-02-02
err10
errOAAI
errBorne, Kurtis D.; Cooper, Joseph C.; Ashfold, Michael N. R.; Bachmann, Julien; Bhattacharyya, Surjendu; Boll, Rebecca; Bonanomi, Matteo; Bosch, Michael; Callegari, Carlo; Centurion, Martin; Coreno, Marcello; Curchod, Basile F. E.; Danailov, Miltcho B.; Demidovich, Alexander; Di Fraia, Michele; Erk, Benjamin; Facciala, Davide; Feifel, Raimund; Forbes, Ruaridh J. G.; Hansen, Christopher S.; Holland, David M. P.; Ingle, Rebecca A.; Lindh, Roland; Ma, Lingyu; Mcghee, Henry G.; Muvva, Sri Bhavya; Nunes, Joao Pedro Figueira; Odate, Asami; Pathak, Shashank; Plekan, Oksana; Prince, Kevin C.; Rebernik, Primoz; Rouzee, Arnaud; Rudenko, Artem; Simoncig, Alberto; Squibb, Richard J.; Venkatachalam, Anbu Selvam; Vozzi, Caterina; Weber, Peter M.; Kirrander, Adam; Rolles, Daniel
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Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-10-26
err4
errOAAI
errCuellar-Zuquin, Juliana; Pepino, Ana Julieta; Fdez Galvan, Ignacio; Rivalta, Ivan; Aquilante, Francesco; Garavelli, Marco; Lindh, Roland; Segarra-Marti, Javier
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The versatility of the Cholesky decomposition in electronic structure theory
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2023-10-25
err6
errOAAI
errPedersen, Thomas Bondo; Lehtola, Susi; Galvan, Ignacio Fdez.; Lindh, Roland
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errSave
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-05-22
err127
errOAAI
errManni, Giovanni Li; Galvan, Ignacio Fdez.; Alavi, Ali; Aleotti, Flavia; Aquilante, Francesco; Autschbach, Jochen; Avagliano, Davide; Baiardi, Alberto; Bao, Jie J.; Battaglia, Stefano; Birnoschi, Letitia; Blanco-Gonzalez, Alejandro; Bokarev, Sergey I.; Broer, Ria; Cacciari, Roberto; Calio, Paul B.; Carlson, Rebecca K.; Couto, Rafael Carvalho; Cerdan, Luis; Chibotaru, Liviu F.; Chilton, Nicholas F.; Church, Jonathan Richard; Conti, Irene; Coriani, Sonia; Cuellar-Zuquin, Juliana; Daoud, Razan E.; Dattani, Nike; Decleva, Piero; de Graaf, Coen; Delcey, Mickael G.; De Vico, Luca; Dobrautz, Werner; Dong, Sijia S.; Feng, Rulin; Ferre, Nicolas; Filatov (Gulak), Michael; Gagliardi, Laura; Garavelli, Marco; Gonzalez, Leticia; Guan, Yafu; Guo, Meiyuan; Hennefarth, Matthew R.; Hermes, Matthew R.; Hoyer, Chad E.; Huix-Rotllant, Miquel; Jaiswal, Vishal Kumar; Kaiser, Andy; Kaliakin, Danil S.; Khamesian, Marjan; King, Daniel S.; Kochetov, Vladislav; Krosnicki, Marek; Kumaar, Arpit Arun; Larsson, Ernst D.; Lehtola, Susi; Lepetit, Marie-Bernadette; Lischka, Hans; Rios, Pablo Lopez; Lundberg, Marcus; Ma, Dongxia; Mai, Sebastian; Marquetand, Philipp; Merritt, Isabella C. D.; Montorsi, Francesco; Morchen, Maximilian; Nenov, Artur; Vu Ha Anh Nguyen; Nishimoto, Yoshio; Oakley, Meagan S.; Olivucci, Massimo; Oppel, Markus; Padula, Daniele; Pandharkar, Riddhish; Quan Manh Phung; Plasser, Felix; Raggi, Gerardo; Rebolini, Elisa; Reiher, Markus; Rivalta, Ivan; Roca-Sanjuan, Daniel; Romig, Thies; Safari, Arta Anushirwan; Sanchez-Mansilla, Aitor; Sand, Andrew M.; Schapiro, Igor; Scott, Thais R.; Segarra-Marti, Javier; Segatta, Francesco; Sergentu, Dumitru-Claudiu; Sharma, Prachi; Shepard, Ron; Shu, Yinan; Staab, Jakob K.; Straatsma, Tjerk P.; Sorensen, Lasse Kragh; Tenorio, Bruno Nunes Cabral; Truhlar, Donald G.; Ungur, Liviu; Vacher, Morgane; Veryazov, Valera; Voss, Torben Arne; Weser, Oskar; Wu, Dihua; Yang, Xuchun; Yarkony, David; Zhou, Chen; Zobel, J. Patrick; Lindh, Roland
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Smooth Things Come in Threes: A Diabatic Surrogate Model for Conical Intersection Optimization
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-05-16
err7
errOAAI
errGalvan, Ignacio Fdez; Lindh, Roland
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errSave
Simulation Reveals the Chameleonic Behavior of Macrocycles
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-12-23
err12
errOAAI
errSethio, Daniel; Poongavanam, Vasanthanathan; Xiong, Ruisheng; Tyagi, Mohit; Vo, Duc Duy; Lindh, Roland; Kihlberg, Jan
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Regularized CASPT2: an Intruder-State-Free Approach
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-07-25
err29
errOAAI
errBattaglia, Stefano; Fransen, Lina; Galvan, Ignacio Fdez.; Lindh, Roland
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Analytic First-Order Derivatives of (X)MS, XDW, and RMS Variants of the CASPT2 and RASPT2 Methods
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-06-14
err33
errOAAI
errNishimoto, Yoshio; Battaglia, Stefano; Lindh, Roland
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Do 2-coordinate iodine(i) and silver(i) complexes form nucleophilic iodonium interactions (NIIs) in solution?
errCHEMICAL COMMUNICATIONS
IF4.2
err2022-01-01
err11
errOAAI
errWilcox, Scott; Sethio, Daniel; Ward, Jas S.; Frontera, Antonio; Lindh, Roland; Rissanen, Kari; Erdelyi, Mate
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Analytic gradients for multiconfiguration pair-density functional theory with density fitting: Development and application to geometry optimization in the ground and excited states
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-02-18
err10
errOAAI
errScott, Thais R.; Oakley, Meagan S.; Hermes, Matthew R.; Sand, Andrew M.; Lindh, Roland; Truhlar, Donald G.; Gagliardi, Laura
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On the role of symmetry in XDW-CASPT2
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-01-15
err28
errOAAI
errBattaglia, Stefano; Lindh, Roland
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errSave
Restricted-Variance Constrained, Reaction Path, and Transition State Molecular Optimizations Using Gradient-Enhanced Kriging
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-12-31
err24
errOAAI
errGalvan, Ignacio Fdez; Raggi, Gerardo; Lindh, Roland
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Unravelling the mechanism of pH-regulation in dinoflagellate luciferase
errINTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
IF8.5
err2020-12-01
err1
errOAAI
errKamerlin, Natasha; Delcey, Mickael G.; Lindh, Roland
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P,N-Chelated Gold(III) Complexes: Structure and Reactivity
errINORGANIC CHEMISTRY
IF4.7
err2020-11-10
err13
errOAAI
errReiersolmoen, Ann Christin; Battaglia, Stefano; Orthaber, Andreas; Lindh, Roland; Erdelyi, Mate; Fiksdahl, Anne
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Halogen Bond of Halonium Ions: Benchmarking DFT Methods for the Description of NMR Chemical Shifts
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-11-02
err17
errOAAI
errSethio, Daniel; Raggi, Gerardo; Lindh, Roland; Erdelyi, Mate
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Exact semi-classical light-matter interaction operator applied to two-photon processes with strong relativistic effects
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-07-09
err5
errOAAI
errDelcey, Mickael G.; Couto, Rafael Carvalho; Sorensen, Lasse Kragh; Galvan, Ignacio Fdez.; Guo, Meiyuan; Lindh, Roland; Lundberg, Marcus
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errSave
Modern quantum chemistry with [Open]Molcas
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-06-05
err355
errOAAI
errAquilante, Francesco; Autschbach, Jochen; Baiardi, Alberto; Battaglia, Stefano; Borin, Veniamin A.; Chibotaru, Liviu F.; Conti, Irene; De Vico, Luca; Delcey, Mickael; Galvan, Ignacio Fdez.; Ferre, Nicolas; Freitag, Leon; Garavelli, Marco; Gong, Xuejun; Knecht, Stefan; Larsson, Ernst D.; Lindh, Roland; Lundberg, Marcus; Malmqvist, Per Ake; Nenov, Artur; Norell, Jesper; Odelius, Michael; Olivucci, Massimo; Pedersen, Thomas B.; Pedraza-Gonzalez, Laura; Phung, Quan M.; Pierloot, Kristine; Reiher, Markus; Schapiro, Igor; Segarra-Marti, Javier; Segatta, Francesco; Seijo, Luis; Sen, Saumik; Sergentu, Dumitru-Claudiu; Stein, Christopher J.; Ungur, Liviu; Vacher, Morgane; Valentini, Alessio; Veryazov, Valera
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Impact of Excited-State Antiaromaticity Relief in a Fundamental Benzene Photoreaction Leading to Substituted Bicyclo[3.1.0]hexenes
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2020-05-27
err35
errOAAI
errSlanina, Tomas; Ayub, Rabia; Toldo, Josene; Sundell, Johan; Rabten, Wangchuk; Nicaso, Marco; Alabugin, Igor; Galvan, Ignacio Fdez; Gupta, Arvind K.; Lindh, Roland; Orthaber, Andreas; Lewis, Richard J.; Gronberg, Gunnar; Bergman, Joakim; Ottosson, Henrik
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Research Directions

No research directions
Co-authors
Cooperation Journals
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Donald G. Truhlar
H-index: 187 · Papers: 1.9K
A
Alán Aspuru‐Guzik
H-index: 114 · Papers: 933
E
Emily A. Carter
H-index: 102 · Papers: 718
M
Marc Hendrickx
H-index: 97 · Papers: 1.1K
L
Laura Gagliardi
H-index: 97 · Papers: 1.1K
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