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- W1503320003 endingPage "179" @default.
- W1503320003 startingPage "147" @default.
- W1503320003 abstract "The idea of effective core potentials (ECPs) is based on the chemically intuitive restriction of the explicit calculations to the chemical important valence electrons, while the essentially inert atomic cores, i.e., the nucleus and the electrons in the inner shells, are replaced by a suitable parametrized (relatively simple) one-electron operator acting on the remaining valence electrons, i.e., the effective core ‘potential’. This chapter emphasizes only those modern variants of the pseudopotential (PP) approach, which experience a widespread use for f elements. It summarizes the most important concepts and equations of the PP method. The chapter describes in detail the two different kinds of PP adjustment, i.e., the energy- and shape-consistent technique. It briefly comments on the valence basis sets for PP calculations. The chapter shows some characteristic applications, and finally, it gives a short conclusion and outlook demonstrating the possibilities and limitations of the PP approach." @default.
- W1503320003 created "2016-06-24" @default.
- W1503320003 creator A5047717367 @default.
- W1503320003 creator A5063415505 @default.
- W1503320003 date "2015-02-17" @default.
- W1503320003 modified "2023-09-23" @default.
- W1503320003 title "Relativistic Pseudopotentials and Their Applications" @default.
- W1503320003 cites W1532397809 @default.
- W1503320003 cites W1552389948 @default.
- W1503320003 cites W1594347460 @default.
- W1503320003 cites W1604471546 @default.
- W1503320003 cites W1655040123 @default.
- W1503320003 cites W1655809642 @default.
- W1503320003 cites W1919283775 @default.
- W1503320003 cites W1963890858 @default.
- W1503320003 cites W1966028618 @default.
- W1503320003 cites W1966182479 @default.
- W1503320003 cites W1966792574 @default.
- W1503320003 cites W1967380318 @default.
- W1503320003 cites W1967788421 @default.
- W1503320003 cites W1969421835 @default.
- W1503320003 cites W1970136771 @default.
- W1503320003 cites W1970368702 @default.
- W1503320003 cites W1974601195 @default.
- W1503320003 cites W1974790504 @default.
- W1503320003 cites W1975091121 @default.
- W1503320003 cites W1977823797 @default.
- W1503320003 cites W1979617332 @default.
- W1503320003 cites W1980473944 @default.
- W1503320003 cites W1981115583 @default.
- W1503320003 cites W1982424502 @default.
- W1503320003 cites W1986942417 @default.
- W1503320003 cites W1987141277 @default.
- W1503320003 cites W1988062912 @default.
- W1503320003 cites W1988884469 @default.
- W1503320003 cites W1990612939 @default.
- W1503320003 cites W1991358468 @default.
- W1503320003 cites W1993026711 @default.
- W1503320003 cites W1993461592 @default.
- W1503320003 cites W1994325879 @default.
- W1503320003 cites W1996409096 @default.
- W1503320003 cites W1997041494 @default.
- W1503320003 cites W1997624855 @default.
- W1503320003 cites W2000125204 @default.
- W1503320003 cites W2000776569 @default.
- W1503320003 cites W2000885587 @default.
- W1503320003 cites W2001204648 @default.
- W1503320003 cites W2003774307 @default.
- W1503320003 cites W2009304399 @default.
- W1503320003 cites W2010806234 @default.
- W1503320003 cites W2011379164 @default.
- W1503320003 cites W2011644058 @default.
- W1503320003 cites W2012974757 @default.
- W1503320003 cites W2016169426 @default.
- W1503320003 cites W2016202830 @default.
- W1503320003 cites W2016763055 @default.
- W1503320003 cites W2017344081 @default.
- W1503320003 cites W2018749333 @default.
- W1503320003 cites W2019298127 @default.
- W1503320003 cites W2021050313 @default.
- W1503320003 cites W2024565370 @default.
- W1503320003 cites W2024589781 @default.
- W1503320003 cites W2024778328 @default.
- W1503320003 cites W2024999926 @default.
- W1503320003 cites W2025450619 @default.
- W1503320003 cites W2025987200 @default.
- W1503320003 cites W2028054907 @default.
- W1503320003 cites W2030562751 @default.
- W1503320003 cites W2032526041 @default.
- W1503320003 cites W2033050479 @default.
- W1503320003 cites W2033446006 @default.
- W1503320003 cites W2036042608 @default.
- W1503320003 cites W2036182242 @default.
- W1503320003 cites W2036709658 @default.
- W1503320003 cites W2037094673 @default.
- W1503320003 cites W2041825548 @default.
- W1503320003 cites W2046181151 @default.
- W1503320003 cites W2047539864 @default.
- W1503320003 cites W2048879363 @default.
- W1503320003 cites W2052312990 @default.
- W1503320003 cites W2052610316 @default.
- W1503320003 cites W2054829218 @default.
- W1503320003 cites W2058065178 @default.
- W1503320003 cites W2060897179 @default.
- W1503320003 cites W2061193419 @default.
- W1503320003 cites W2062188322 @default.
- W1503320003 cites W2065294064 @default.
- W1503320003 cites W2066182574 @default.
- W1503320003 cites W2068617439 @default.
- W1503320003 cites W2078321606 @default.
- W1503320003 cites W2079117642 @default.
- W1503320003 cites W2082686764 @default.
- W1503320003 cites W2084572589 @default.
- W1503320003 cites W2084952604 @default.
- W1503320003 cites W2085259452 @default.
- W1503320003 cites W2085909685 @default.
- W1503320003 cites W2086249756 @default.
- W1503320003 cites W2086288648 @default.