Publikationen

Journal Article (3)

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