1965
DOI: 10.1063/1.1696050
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Configuration-Interaction Calculation of H3 and H2

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Cited by 130 publications
(68 citation statements)
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“…(4), where t a μ and t b ν parametrize the transformation to a new virtual basis. In PNO theories pioneered some time ago 10,[12][13][14][15] and which have been recently revisited by Neese and co-workers, 16, 17 a correlating virtual space is defined for each occupied pair i j, and the amplitudes are factorized as (cf. Fig.…”
Section: B Orbital-specific Virtual Approximationmentioning
confidence: 99%
“…(4), where t a μ and t b ν parametrize the transformation to a new virtual basis. In PNO theories pioneered some time ago 10,[12][13][14][15] and which have been recently revisited by Neese and co-workers, 16, 17 a correlating virtual space is defined for each occupied pair i j, and the amplitudes are factorized as (cf. Fig.…”
Section: B Orbital-specific Virtual Approximationmentioning
confidence: 99%
“…[3][4][5][6][7][8][9][10][11][12][13][14][15] are obvious examples, but methods which define new occupied and virtual orbital sets, such as the projected atomic orbital (PAO), [16][17][18][19][20] frozen natural orbital, [21][22][23][24][25] and pair natural orbital (PNO) (Refs. [26][27][28][29][30][31][32][33] methods, can also be understood in this mathematical language.…”
Section: Introductionmentioning
confidence: 99%
“…The use of pair natural orbitals (PNOs) [30][31][32] was revived and introduced into local correlation methods in 2009. 24 Since then, a series of linear scaling CCSD(T) methods for both closed-shell and open-shell systems have been developed.…”
mentioning
confidence: 99%