Matches in SemOpenAlex for { <https://semopenalex.org/work/W2041063116> ?p ?o ?g. }
- W2041063116 abstract "An effective Hamiltonian perturbed with explicit interelectronic correlation is derived from similarity transformation of Hamiltonian using a unitary operator with Slater-type geminals. The Slater-type geminal is projected onto the excitation (and deexcitation) component as in the F12 theory. Simplification is made by truncating higher-body operators, resulting in a correlated Hamiltonian which is Hermitian and has exactly the same complexity as the original Hamiltonian in the second quantized form. It can thus be easily combined with arbitrary correlation models proposed to date. The present approach constructs a singularity-free Hamiltonian a priori, similarly to the so-called transcorrelated theory, while the use of the canonical transformation assures that the effective Hamiltonian is two-body and Hermite. Our theory is naturally extensible to multireference calculations on the basis of the generalized normal ordering. The construction of the effective Hamiltonian is non-iterative. The numerical assessments demonstrate that the present scheme improves the basis set convergence of the post-mean-field calculations at a similar rate to the explicitly correlated methods proposed by others that couple geminals and conventional excitations." @default.
- W2041063116 created "2016-06-24" @default.
- W2041063116 creator A5002069874 @default.
- W2041063116 creator A5072031636 @default.
- W2041063116 date "2012-02-28" @default.
- W2041063116 modified "2023-10-17" @default.
- W2041063116 title "Canonical transcorrelated theory with projected Slater-type geminals" @default.
- W2041063116 cites W1500181546 @default.
- W2041063116 cites W1555097089 @default.
- W2041063116 cites W1825525822 @default.
- W2041063116 cites W1964653967 @default.
- W2041063116 cites W1964936787 @default.
- W2041063116 cites W1965288006 @default.
- W2041063116 cites W1966740451 @default.
- W2041063116 cites W1967260035 @default.
- W2041063116 cites W1968732613 @default.
- W2041063116 cites W1968842791 @default.
- W2041063116 cites W1976935265 @default.
- W2041063116 cites W1978115055 @default.
- W2041063116 cites W1979183420 @default.
- W2041063116 cites W1980726540 @default.
- W2041063116 cites W1980751327 @default.
- W2041063116 cites W1986037653 @default.
- W2041063116 cites W1986661628 @default.
- W2041063116 cites W1987252335 @default.
- W2041063116 cites W1987863968 @default.
- W2041063116 cites W1989711645 @default.
- W2041063116 cites W1990032527 @default.
- W2041063116 cites W1992718569 @default.
- W2041063116 cites W1993077801 @default.
- W2041063116 cites W1995010951 @default.
- W2041063116 cites W1995011915 @default.
- W2041063116 cites W1997401575 @default.
- W2041063116 cites W1998970054 @default.
- W2041063116 cites W1999377239 @default.
- W2041063116 cites W1999927979 @default.
- W2041063116 cites W2000193505 @default.
- W2041063116 cites W2000721193 @default.
- W2041063116 cites W2002296496 @default.
- W2041063116 cites W2004385135 @default.
- W2041063116 cites W2005876199 @default.
- W2041063116 cites W2006491620 @default.
- W2041063116 cites W2007151057 @default.
- W2041063116 cites W2007882788 @default.
- W2041063116 cites W2008618431 @default.
- W2041063116 cites W2010708668 @default.
- W2041063116 cites W2011869873 @default.
- W2041063116 cites W2013044459 @default.
- W2041063116 cites W2013417491 @default.
- W2041063116 cites W2013953996 @default.
- W2041063116 cites W2018924126 @default.
- W2041063116 cites W2019313461 @default.
- W2041063116 cites W2020700988 @default.
- W2041063116 cites W2023262328 @default.
- W2041063116 cites W2027334444 @default.
- W2041063116 cites W2028760087 @default.
- W2041063116 cites W2028910796 @default.
- W2041063116 cites W2028975878 @default.
- W2041063116 cites W2029359473 @default.
- W2041063116 cites W2029449853 @default.
- W2041063116 cites W2029977265 @default.
- W2041063116 cites W2031268682 @default.
- W2041063116 cites W2031288436 @default.
- W2041063116 cites W2033461475 @default.
- W2041063116 cites W2039689372 @default.
- W2041063116 cites W2039880046 @default.
- W2041063116 cites W2044978912 @default.
- W2041063116 cites W2045905161 @default.
- W2041063116 cites W2047575119 @default.
- W2041063116 cites W2050670694 @default.
- W2041063116 cites W2051784248 @default.
- W2041063116 cites W2051817968 @default.
- W2041063116 cites W2052730670 @default.
- W2041063116 cites W2054116661 @default.
- W2041063116 cites W2054658678 @default.
- W2041063116 cites W2057673394 @default.
- W2041063116 cites W2058352201 @default.
- W2041063116 cites W2059535538 @default.
- W2041063116 cites W2061309794 @default.
- W2041063116 cites W2062500657 @default.
- W2041063116 cites W2063025616 @default.
- W2041063116 cites W2063803798 @default.
- W2041063116 cites W2064851837 @default.
- W2041063116 cites W2065716066 @default.
- W2041063116 cites W2068320807 @default.
- W2041063116 cites W2068901722 @default.
- W2041063116 cites W2069006374 @default.
- W2041063116 cites W2069173383 @default.
- W2041063116 cites W2069572183 @default.
- W2041063116 cites W2072152845 @default.
- W2041063116 cites W2073205477 @default.
- W2041063116 cites W2075486066 @default.
- W2041063116 cites W2077042418 @default.
- W2041063116 cites W2077964984 @default.
- W2041063116 cites W2078770016 @default.
- W2041063116 cites W2079596413 @default.
- W2041063116 cites W2079688533 @default.
- W2041063116 cites W2081028417 @default.
- W2041063116 cites W2083301002 @default.
- W2041063116 cites W2085028653 @default.