Papers matching “molecular wave functions” 49
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Observing the Spatial and Temporal Evolution of Exciton Wave Functions in Organic Semiconductors2026 Physical Review X article Physics and Astronomy Laser-Matter Interactions and Applications Open access
Marcel Theilen, Siegfried Kaidisch, Monja Stettner, Sarah Zajusch, Eric Fackelman, Alexa Adamkiewicz, +9 more
0citations -
Molecular basis of the CYFIP2 and NCKAP1 autism‐linked variants in the WAVE regulatory complex2024 Protein Science article Biochemistry, Genetics and Molecular Biology Genetics and Neurodevelopmental Disorders Open access
Song Xie, Ke Zuo, Silvia De Rubeis, Paolo Ruggerone, Paolo Carloni
4citations -
Modulated molecular crystals: incommensurate high-Z′ forms and their variation as a function of temperature and stress2021 Acta Crystallographica Section A Foundations and Advances article Materials Science X-ray Diffraction in Crystallography Open access
Somnath Dey, Chilla Malla Reddy, Andreas Schönleber, Sander van Smaalen
0citations -
Frustration-Induced Many-Body Degeneracy in Spin −1/2 Molecular Quantum Rings2025 Journal of the American Chemical Society article Physics and Astronomy Advanced Condensed Matter Physics Open access
Donglin Li, Nan Cao, Marvin Metzelaars, Orlando José Silveira, Joakim S. Jestilä, Adolfo O. Fumega, +5 more
9citations -
Reducing Qubit Requirements while Maintaining Numerical Precision for the Variational Quantum Eigensolver: A Basis-Set-Free Approach2021 The Journal of Physical Chemistry Letters article Computer Science Quantum Computing Algorithms and Architecture Open access cited by 4 patents
Jakob S. Kottmann, Philipp Schleich, Teresa Tamayo-Mendoza, Alán Aspuru‐Guzik
49citations -
kMap.py: A Python program for simulation and data analysis in photoemission tomography2021 Computer Physics Communications article Materials Science Electron and X-Ray Spectroscopy Techniques Open access
Dominik Brandstetter, Xiaosheng Yang, Daniel Lüftner, Frank Stefan Tautz, Peter Puschnig
1citations -
Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water–methane dimer2025 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access
Flaviano Della Pia, Benjamin X. Shi, Yasmine S. Al-Hamdani, Dario Alfè, Tyler A. Anderson, Matteo Barborini, +25 more
9citations -
kMap.py: A Python program for simulation and data analysis in photoemission tomography2020 arXiv (Cornell University) preprint Materials Science Electron and X-Ray Spectroscopy Techniques Open access
Dominik Brandstetter, Xiaosheng Yang, Daniel Lüftner, Frank Stefan Tautz, Peter Puschnig
23citations -
Circular dichroism in the photoelectron angular distribution of achiral molecules2026 Physical Review Research article Physics and Astronomy Laser-Matter Interactions and Applications Open access
Christian S. Kern, Xiaosheng Yang, Giovanni Zamborlini, Simone Mearini, Matteo Jugovac, Vitaliy Feyer, +6 more
2citations -
Inside Back Cover: The Orbital Origins of Chemical Bonding in Ge−Sb−Te Phase‐Change Materials (Angew. Chem. Int. Ed. 17/2022)2022 Angewandte Chemie International Edition article Materials Science Phase-change materials and chalcogenides
Jan Hempelmann, Peter C. Müller, Christina Ertural, Richard Dronskowski
0citations -
The Road towards Gene Therapy for X-Linked Juvenile Retinoschisis: A Systematic Review of Preclinical Gene Therapy in Cell-Based and Rodent Models of XLRS2024 International Journal of Molecular Sciences review Biochemistry, Genetics and Molecular Biology Retinal Development and Disorders Open access
Isa van der Veen, Andrea Heredero Berzal, Céline Koster, Anneloor L.M.A. ten Asbroek, Arthur A B Bergen, Camiel J. F. Boon
14citations -
Incommensurate Phase in Λ‐cobalt (III) Sepulchrate Trinitrate Governed by Highly Competitive N−H⋅⋅⋅O and C−H⋅⋅⋅O Hydrogen Bond Networks**2022 Chemistry - A European Journal article Chemistry Crystallography and molecular interactions Open access
Somnath Dey, Andreas Schönleber, Sander van Smaalen, W. Morgenroth, Finn Krebs Larsen
4citations