Publikationen
Journal Article (3)
2021
Journal Article
155 (10), 104109 (2021)
An improved chain of spheres for exchange algorithm. The Journal of Chemical Physics
Journal Article
154 (16), 164104 (2021)
A trust-region augmented Hessian implementation for restricted and unrestricted Hartree–Fock and Kohn–Sham methods. The Journal of Chemical Physics
Journal Article
121 (3), e26559 (2021)
Simulating X‐ray absorption spectra with complete active space self‐consistent field linear response methods. International Journal of Quantum Chemistry