Počet záznamů: 1
Scaling exchange and correlation in the on-top density functional of multiconfiguration pair-density functional theory: effect on electronic excitation energies and bond energies
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$a 10.1007/s00214-019-2539-6 $2 DOI 100 $a 20200207d m y slo 03 ba 101 $a eng $d eng 102 $a DE 200 1-
$a Scaling exchange and correlation in the on-top density functional of multiconfiguration pair-density functional theory: effect on electronic excitation energies and bond energies 215 $a 10 s. 463 -1
$1 001 cav_un_epca*0255218 $1 011 $a 1432-881X $e 1432-2234 $1 200 1 $a Theoretical Chemistry Accounts $v Roč. 139, č. 2 (2020) 608 $a Article 610 $a excitation energies 610 $a bond energies 610 $a benchmark 610 $a MC-PDFT 610 $a pair-density 610 $a on-top pair-density functionals 700 -1
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$3 cav_un_auth*0338868 $4 070 $a Kadlec $b Jan $p UOCHB-X $i Molekulové modelování $j Molecular Modeling $k 630/63 $l 630/63 $y CZ $q Institute of Organic Chemistry and Biochemistry of the Academy of Sciences of the Czech Republic $T Ústav organické chemie a biochemie AV ČR, v. v. i. 701 -1
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Počet záznamů: 1