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• W3126601124 endingPage "540" @default.
• W3126601124 startingPage "515" @default.
• W3126601124 abstract "In this article, we review nonadiabatic molecular dynamics (NAMD) methods for modeling spin-crossover transitions. First, we discuss different representations of electronic states employed in the grid-based and direct NAMD simulations. The nature of interstate couplings in different representations is highlighted, with the main focus on nonadiabatic and spin-orbit couplings. Second, we describe three NAMD methods that have been used to simulate spin-crossover dynamics, including trajectory surface hopping, ab initio multiple spawning, and multiconfiguration time-dependent Hartree. Some aspects of employing different electronic structure methods to obtain information about potential energy surfaces and interstate couplings for NAMD simulations are also discussed. Third, representative applications of NAMD to spin crossovers in molecular systems of different sizes and complexities are highlighted. Finally, we pose several fundamental questions related to spin-dependent processes. These questions should be possible to address with future methodological developments in NAMD." @default.
• W3126601124 created "2021-02-15" @default.
• W3126601124 creator A5033401595 @default.
• W3126601124 creator A5069472487 @default.
• W3126601124 creator A5070716112 @default.
• W3126601124 date "2021-04-20" @default.
• W3126601124 modified "2023-10-16" @default.
• W3126601124 title "Modeling Spin-Crossover Dynamics" @default.
• W3126601124 cites W1498377335 @default.
• W3126601124 cites W1507739119 @default.
• W3126601124 cites W1541211828 @default.
• W3126601124 cites W1555462104 @default.
• W3126601124 cites W1571658817 @default.
• W3126601124 cites W1963961728 @default.
• W3126601124 cites W1964443055 @default.
• W3126601124 cites W1969895225 @default.
• W3126601124 cites W1973194487 @default.
• W3126601124 cites W1973385516 @default.
• W3126601124 cites W1975412557 @default.
• W3126601124 cites W1980330075 @default.
• W3126601124 cites W1986622114 @default.
• W3126601124 cites W1988996307 @default.
• W3126601124 cites W1989061999 @default.
• W3126601124 cites W1992854948 @default.
• W3126601124 cites W1993362494 @default.
• W3126601124 cites W1998126383 @default.
• W3126601124 cites W2008931657 @default.
• W3126601124 cites W2009091313 @default.
• W3126601124 cites W2010511952 @default.
• W3126601124 cites W2016454243 @default.
• W3126601124 cites W2017263291 @default.
• W3126601124 cites W2019945657 @default.
• W3126601124 cites W2025504048 @default.
• W3126601124 cites W2027640782 @default.
• W3126601124 cites W2027862841 @default.
• W3126601124 cites W2027878239 @default.
• W3126601124 cites W2028002045 @default.
• W3126601124 cites W2030094693 @default.
• W3126601124 cites W2030399252 @default.
• W3126601124 cites W2031792806 @default.
• W3126601124 cites W2032334443 @default.
• W3126601124 cites W2035175955 @default.
• W3126601124 cites W2035916338 @default.
• W3126601124 cites W2036051639 @default.
• W3126601124 cites W2037184132 @default.
• W3126601124 cites W2037892006 @default.
• W3126601124 cites W2038029283 @default.
• W3126601124 cites W2041487250 @default.
• W3126601124 cites W2043453635 @default.
• W3126601124 cites W2044432075 @default.
• W3126601124 cites W2051801150 @default.
• W3126601124 cites W2055032509 @default.
• W3126601124 cites W2058465572 @default.
• W3126601124 cites W2058565544 @default.
• W3126601124 cites W2059725455 @default.
• W3126601124 cites W2063206669 @default.
• W3126601124 cites W2065107782 @default.
• W3126601124 cites W2066556212 @default.
• W3126601124 cites W2068920655 @default.
• W3126601124 cites W2072470627 @default.
• W3126601124 cites W2073801307 @default.
• W3126601124 cites W2076188882 @default.
• W3126601124 cites W2078150942 @default.
• W3126601124 cites W2078294955 @default.
• W3126601124 cites W2081549379 @default.
• W3126601124 cites W2083284819 @default.
• W3126601124 cites W2083354755 @default.
• W3126601124 cites W2083688762 @default.
• W3126601124 cites W2083841638 @default.
• W3126601124 cites W2085440568 @default.
• W3126601124 cites W2087860811 @default.
• W3126601124 cites W2089074995 @default.
• W3126601124 cites W2093662740 @default.
• W3126601124 cites W2095747999 @default.
• W3126601124 cites W2098173702 @default.
• W3126601124 cites W2100456799 @default.
• W3126601124 cites W2102016180 @default.
• W3126601124 cites W2117610958 @default.
• W3126601124 cites W2120886788 @default.
• W3126601124 cites W2122590536 @default.
• W3126601124 cites W2125410420 @default.
• W3126601124 cites W2125903089 @default.
• W3126601124 cites W2127590169 @default.
• W3126601124 cites W2139134933 @default.
• W3126601124 cites W2145974620 @default.
• W3126601124 cites W2151403951 @default.
• W3126601124 cites W2166159133 @default.
• W3126601124 cites W2166791499 @default.
• W3126601124 cites W2177527467 @default.
• W3126601124 cites W2196141432 @default.
• W3126601124 cites W2255784417 @default.
• W3126601124 cites W2294919614 @default.
• W3126601124 cites W2295188415 @default.
• W3126601124 cites W2306786994 @default.
• W3126601124 cites W2312693140 @default.
• W3126601124 cites W2313130196 @default.
• W3126601124 cites W2316718981 @default.
• W3126601124 cites W2320191474 @default.

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