FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4387116218> ?p ?o ?g. }

• W4387116218 endingPage "8908" @default.
• W4387116218 startingPage "8896" @default.
• W4387116218 abstract "The density functional theory (DFT) and linear response (LR) time-dependent (TD)-DFT are of the utmost importance for routine computations. However, the single reference formulation of DFT suffers in the description of open-shell singlet systems such as diradicals and bond-breaking. LR-TDDFT, on the other hand, finds difficulties in the modeling of conical intersections, doubly excited states, and core-level excitations. In this Perspective, we demonstrate that many of these limitations can be overcome by recently developed mixed-reference (MR) spin-flip (SF)-TDDFT, providing an alternative yet accurate route for such challenging situations. Empowered by the practicality of the LR formalism, it is anticipated that MRSF-TDDFT can become one of the major workhorses for general routine tasks." @default.
• W4387116218 created "2023-09-29" @default.
• W4387116218 creator A5003906481 @default.
• W4387116218 creator A5022400548 @default.
• W4387116218 creator A5046081764 @default.
• W4387116218 creator A5076172609 @default.
• W4387116218 date "2023-09-28" @default.
• W4387116218 modified "2023-10-11" @default.
• W4387116218 title "Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory: Multireference Advantages with the Practicality of Linear Response Theory" @default.
• W4387116218 cites W1572505298 @default.
• W4387116218 cites W1618037611 @default.
• W4387116218 cites W1717307988 @default.
• W4387116218 cites W1810005911 @default.
• W4387116218 cites W1968366495 @default.
• W4387116218 cites W1971088646 @default.
• W4387116218 cites W1973336827 @default.
• W4387116218 cites W1973383114 @default.
• W4387116218 cites W1974869771 @default.
• W4387116218 cites W1982368957 @default.
• W4387116218 cites W1982559832 @default.
• W4387116218 cites W1982703140 @default.
• W4387116218 cites W1983079974 @default.
• W4387116218 cites W1987245427 @default.
• W4387116218 cites W1990451100 @default.
• W4387116218 cites W1995395712 @default.
• W4387116218 cites W1996116070 @default.
• W4387116218 cites W1997409282 @default.
• W4387116218 cites W2001177502 @default.
• W4387116218 cites W2005384186 @default.
• W4387116218 cites W2006839727 @default.
• W4387116218 cites W2008224037 @default.
• W4387116218 cites W2009240161 @default.
• W4387116218 cites W2009596258 @default.
• W4387116218 cites W2011895031 @default.
• W4387116218 cites W2012778107 @default.
• W4387116218 cites W2015206620 @default.
• W4387116218 cites W2018939430 @default.
• W4387116218 cites W2022368043 @default.
• W4387116218 cites W2022950330 @default.
• W4387116218 cites W2023749726 @default.
• W4387116218 cites W2024524738 @default.
• W4387116218 cites W2025898544 @default.
• W4387116218 cites W2027787937 @default.
• W4387116218 cites W2031160376 @default.
• W4387116218 cites W2031772899 @default.
• W4387116218 cites W2032436962 @default.
• W4387116218 cites W2032677352 @default.
• W4387116218 cites W2035000332 @default.
• W4387116218 cites W2035280333 @default.
• W4387116218 cites W2035591252 @default.
• W4387116218 cites W2036860653 @default.
• W4387116218 cites W2039174779 @default.
• W4387116218 cites W2039756777 @default.
• W4387116218 cites W2040865570 @default.
• W4387116218 cites W2040922970 @default.
• W4387116218 cites W2042442723 @default.
• W4387116218 cites W2045508665 @default.
• W4387116218 cites W2049745077 @default.
• W4387116218 cites W2050056663 @default.
• W4387116218 cites W2053751309 @default.
• W4387116218 cites W2054198704 @default.
• W4387116218 cites W2058398316 @default.
• W4387116218 cites W2062554824 @default.
• W4387116218 cites W2065286846 @default.
• W4387116218 cites W2066198019 @default.
• W4387116218 cites W2068046234 @default.
• W4387116218 cites W2072889835 @default.
• W4387116218 cites W2076671030 @default.
• W4387116218 cites W2079304534 @default.
• W4387116218 cites W2080969451 @default.
• W4387116218 cites W2083730521 @default.
• W4387116218 cites W2084003393 @default.
• W4387116218 cites W2084762724 @default.
• W4387116218 cites W2095487184 @default.
• W4387116218 cites W2100456799 @default.
• W4387116218 cites W2102979770 @default.
• W4387116218 cites W2105050546 @default.
• W4387116218 cites W2107065439 @default.
• W4387116218 cites W2117441655 @default.
• W4387116218 cites W2120917163 @default.
• W4387116218 cites W2135803199 @default.
• W4387116218 cites W2139168187 @default.
• W4387116218 cites W2141506516 @default.
• W4387116218 cites W2149445229 @default.
• W4387116218 cites W2158444034 @default.
• W4387116218 cites W2165663689 @default.
• W4387116218 cites W2167346794 @default.
• W4387116218 cites W2168051561 @default.
• W4387116218 cites W2216897087 @default.
• W4387116218 cites W2230728100 @default.
• W4387116218 cites W2233106825 @default.
• W4387116218 cites W2254915017 @default.
• W4387116218 cites W2291059628 @default.
• W4387116218 cites W2292335867 @default.
• W4387116218 cites W2314419608 @default.
• W4387116218 cites W2322512410 @default.
• W4387116218 cites W2329118757 @default.
• W4387116218 cites W2475975196 @default.

• next