Matches in SemOpenAlex for { <https://semopenalex.org/work/W2893991900> ?p ?o ?g. }
- W2893991900 abstract "In this work, we report calculated vibrational energy levels of the methane molecule up to 10 300 cm−1. Two potential energy surfaces constructed in quite different coordinate systems with different analytical representations are employed in order to evaluate the uncertainty of vibrational predictions. To calculate methane energy levels, we used two independent techniques of the variational method. One method uses an exact kinetic energy operator in internal curvilinear coordinates. Another one uses an expansion of Eckart-Watson nuclear motion Hamiltonian in rectilinear normal coordinates. In the Icosad range (up to five vibrational quanta bands–below 7800 cm−1), the RMS standard deviations between calculated and observed energy levels were 0.22 cm−1 and 0.41 cm−1 for these two quite different approaches. For experimentally well-known 3v3 sub-levels, the calculation accuracy is estimated to be ∼1 cm−1. In the Triacontad range (7660-9188 cm−1), the average error of the calculation is about 0.5 cm−1. The accuracy and convergence issues for higher energy ranges are discussed." @default.
- W2893991900 created "2018-10-05" @default.
- W2893991900 creator A5008894615 @default.
- W2893991900 creator A5035545760 @default.
- W2893991900 creator A5050461485 @default.
- W2893991900 creator A5061888983 @default.
- W2893991900 date "2018-09-28" @default.
- W2893991900 modified "2023-10-16" @default.
- W2893991900 title "Highly excited vibrational levels of methane up to 10 300 cm−1: Comparative study of variational methods" @default.
- W2893991900 cites W1528448968 @default.
- W2893991900 cites W1558876704 @default.
- W2893991900 cites W1582303779 @default.
- W2893991900 cites W1639470259 @default.
- W2893991900 cites W1678941157 @default.
- W2893991900 cites W1763241893 @default.
- W2893991900 cites W1839172550 @default.
- W2893991900 cites W1969728947 @default.
- W2893991900 cites W1971132928 @default.
- W2893991900 cites W1971571948 @default.
- W2893991900 cites W1973040912 @default.
- W2893991900 cites W1974758201 @default.
- W2893991900 cites W1974776484 @default.
- W2893991900 cites W1976131934 @default.
- W2893991900 cites W1981530105 @default.
- W2893991900 cites W1985237941 @default.
- W2893991900 cites W1986057012 @default.
- W2893991900 cites W1986232428 @default.
- W2893991900 cites W1986350436 @default.
- W2893991900 cites W1987883992 @default.
- W2893991900 cites W1989353936 @default.
- W2893991900 cites W1989543701 @default.
- W2893991900 cites W1991570125 @default.
- W2893991900 cites W1992965758 @default.
- W2893991900 cites W1996395313 @default.
- W2893991900 cites W1996664578 @default.
- W2893991900 cites W1997752537 @default.
- W2893991900 cites W2004290750 @default.
- W2893991900 cites W2008777117 @default.
- W2893991900 cites W2012352215 @default.
- W2893991900 cites W2020951437 @default.
- W2893991900 cites W2023150946 @default.
- W2893991900 cites W2025574722 @default.
- W2893991900 cites W2025607662 @default.
- W2893991900 cites W2026326126 @default.
- W2893991900 cites W2029888802 @default.
- W2893991900 cites W2031484177 @default.
- W2893991900 cites W2032020258 @default.
- W2893991900 cites W2034136102 @default.
- W2893991900 cites W2035232672 @default.
- W2893991900 cites W2036553894 @default.
- W2893991900 cites W2036782382 @default.
- W2893991900 cites W2037658686 @default.
- W2893991900 cites W2038796632 @default.
- W2893991900 cites W2040427502 @default.
- W2893991900 cites W2042531964 @default.
- W2893991900 cites W2051049801 @default.
- W2893991900 cites W2053476229 @default.
- W2893991900 cites W2055235188 @default.
- W2893991900 cites W2056481875 @default.
- W2893991900 cites W2057662620 @default.
- W2893991900 cites W2057910193 @default.
- W2893991900 cites W2065746736 @default.
- W2893991900 cites W2067551410 @default.
- W2893991900 cites W2067774101 @default.
- W2893991900 cites W2068994416 @default.
- W2893991900 cites W2069629628 @default.
- W2893991900 cites W2069652685 @default.
- W2893991900 cites W2070089774 @default.
- W2893991900 cites W2073952805 @default.
- W2893991900 cites W2088535951 @default.
- W2893991900 cites W2088947109 @default.
- W2893991900 cites W2089946996 @default.
- W2893991900 cites W2090068249 @default.
- W2893991900 cites W2093943481 @default.
- W2893991900 cites W2095128512 @default.
- W2893991900 cites W2099496998 @default.
- W2893991900 cites W2102784404 @default.
- W2893991900 cites W2108915436 @default.
- W2893991900 cites W2114711371 @default.
- W2893991900 cites W2120444263 @default.
- W2893991900 cites W2122977072 @default.
- W2893991900 cites W2128531934 @default.
- W2893991900 cites W2155164325 @default.
- W2893991900 cites W2156092401 @default.
- W2893991900 cites W2157289616 @default.
- W2893991900 cites W2157412491 @default.
- W2893991900 cites W2164676584 @default.
- W2893991900 cites W2166829509 @default.
- W2893991900 cites W2169234242 @default.
- W2893991900 cites W2171775135 @default.
- W2893991900 cites W2179085136 @default.
- W2893991900 cites W2200422038 @default.
- W2893991900 cites W2212234107 @default.
- W2893991900 cites W2238684760 @default.
- W2893991900 cites W2300571655 @default.
- W2893991900 cites W2322369382 @default.
- W2893991900 cites W2322568728 @default.
- W2893991900 cites W2335194714 @default.
- W2893991900 cites W2338599004 @default.
- W2893991900 cites W2512523854 @default.