August 05, 2026 article Grassmann-DIIS extrapolation for accelerating two-dimensional potential energy surface scans Chemical Physics Letters DOI: 10.1016/j.cplett.2026.142999 OpenAlex Authors 0 Author list not loaded yet. Cited by 0 stored of 0 References 2 Search Sort Most cited Newest Oldest Patent citations Title Any typearticle review book-chapter conference-paper preprint dissertation book dataset other Any fieldAgricultural and Biological Sciences Arts and Humanities Biochemistry, Genetics and Molecular Biology Business, Management and Accounting Chemical Engineering Chemistry Computer Science Decision Sciences Dentistry Earth and Planetary Sciences Economics, Econometrics and Finance Energy Engineering Environmental Science Health Professions Immunology and Microbiology Materials Science Mathematics Medicine Neuroscience Nursing Pharmacology, Toxicology and Pharmaceutics Physics and Astronomy Psychology Social Sciences Veterinary Open access Grassmann Extrapolation of Density Matrices for Born–Oppenheimer Molecular Dynamics 2021 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access 28 citations An approximation strategy to compute accurate initial density matrices for repeated self-consistent field calculations at different geometries 2020 Molecular Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access 19 citations 2 results