Matches in SemOpenAlex for { <https://semopenalex.org/work/W3118711907> ?p ?o ?g. }
- W3118711907 endingPage "188" @default.
- W3118711907 startingPage "165" @default.
- W3118711907 abstract "Including both environmental and vibronic effects is important for accurate simulation of optical spectra, but combining these effects remains computationally challenging. We outline two approaches that consider both the explicit atomistic environment and the vibronic transitions. Both phenomena are responsible for spectral shapes in linear spectroscopy and the electronic evolution measured in nonlinear spectroscopy. The first approach utilizes snapshots of chromophore-environment configurations for which chromophore normal modes are determined. We outline various approximations for this static approach that assumes harmonic potentials and ignores dynamic system-environment coupling. The second approach obtains excitation energies for a series of time-correlated snapshots. This dynamic approach relies on the accurate truncation of the cumulant expansion but treats the dynamics of the chromophore and the environment on equal footing. Both approaches show significant potential for making strides toward more accurate optical spectroscopy simulations of complex condensed phase systems." @default.
- W3118711907 created "2021-01-18" @default.
- W3118711907 creator A5009969515 @default.
- W3118711907 creator A5014709273 @default.
- W3118711907 creator A5018737179 @default.
- W3118711907 creator A5031508238 @default.
- W3118711907 creator A5032819618 @default.
- W3118711907 creator A5038738989 @default.
- W3118711907 creator A5087965364 @default.
- W3118711907 date "2021-04-20" @default.
- W3118711907 modified "2023-10-02" @default.
- W3118711907 title "Vibronic and Environmental Effects in Simulations of Optical Spectroscopy" @default.
- W3118711907 cites W1127167206 @default.
- W3118711907 cites W1458358209 @default.
- W3118711907 cites W1664802333 @default.
- W3118711907 cites W1924258261 @default.
- W3118711907 cites W1963563633 @default.
- W3118711907 cites W1965851511 @default.
- W3118711907 cites W1966137227 @default.
- W3118711907 cites W1971044734 @default.
- W3118711907 cites W1973229024 @default.
- W3118711907 cites W1973904414 @default.
- W3118711907 cites W1974856586 @default.
- W3118711907 cites W1978123302 @default.
- W3118711907 cites W1978766951 @default.
- W3118711907 cites W1980002965 @default.
- W3118711907 cites W1981194820 @default.
- W3118711907 cites W1991190801 @default.
- W3118711907 cites W1995794402 @default.
- W3118711907 cites W1996084074 @default.
- W3118711907 cites W2001721554 @default.
- W3118711907 cites W2004303971 @default.
- W3118711907 cites W2007052980 @default.
- W3118711907 cites W2009730628 @default.
- W3118711907 cites W2009836637 @default.
- W3118711907 cites W2012839646 @default.
- W3118711907 cites W2013821132 @default.
- W3118711907 cites W2017805558 @default.
- W3118711907 cites W2021241541 @default.
- W3118711907 cites W2025444507 @default.
- W3118711907 cites W2026467865 @default.
- W3118711907 cites W2026669564 @default.
- W3118711907 cites W2026766829 @default.
- W3118711907 cites W2029961407 @default.
- W3118711907 cites W2033119681 @default.
- W3118711907 cites W2039588355 @default.
- W3118711907 cites W2042426345 @default.
- W3118711907 cites W2045834148 @default.
- W3118711907 cites W2047224922 @default.
- W3118711907 cites W2048234001 @default.
- W3118711907 cites W2058970057 @default.
- W3118711907 cites W2062852634 @default.
- W3118711907 cites W2063639336 @default.
- W3118711907 cites W2064072409 @default.
- W3118711907 cites W2064882890 @default.
- W3118711907 cites W2065587382 @default.
- W3118711907 cites W2068259753 @default.
- W3118711907 cites W2071052974 @default.
- W3118711907 cites W2071503267 @default.
- W3118711907 cites W2072162264 @default.
- W3118711907 cites W2073357050 @default.
- W3118711907 cites W2073968024 @default.
- W3118711907 cites W2074922904 @default.
- W3118711907 cites W2077541768 @default.
- W3118711907 cites W2078617785 @default.
- W3118711907 cites W2082479893 @default.
- W3118711907 cites W2082545972 @default.
- W3118711907 cites W2083415705 @default.
- W3118711907 cites W2083622774 @default.
- W3118711907 cites W2089989221 @default.
- W3118711907 cites W2090502695 @default.
- W3118711907 cites W2095474273 @default.
- W3118711907 cites W2110872379 @default.
- W3118711907 cites W2117092343 @default.
- W3118711907 cites W2117649850 @default.
- W3118711907 cites W2121076213 @default.
- W3118711907 cites W2130512516 @default.
- W3118711907 cites W2131960322 @default.
- W3118711907 cites W2135898139 @default.
- W3118711907 cites W2153383876 @default.
- W3118711907 cites W2153526944 @default.
- W3118711907 cites W2156495637 @default.
- W3118711907 cites W2159312847 @default.
- W3118711907 cites W2180105454 @default.
- W3118711907 cites W2200589053 @default.
- W3118711907 cites W2293250439 @default.
- W3118711907 cites W2312987645 @default.
- W3118711907 cites W2314422650 @default.
- W3118711907 cites W2319790295 @default.
- W3118711907 cites W2322152042 @default.
- W3118711907 cites W2329568385 @default.
- W3118711907 cites W2332585692 @default.
- W3118711907 cites W2332682740 @default.
- W3118711907 cites W2408152072 @default.
- W3118711907 cites W2410722695 @default.
- W3118711907 cites W2413726045 @default.
- W3118711907 cites W2469184089 @default.
- W3118711907 cites W2482824694 @default.