KINETIC BALANCE IN CONTRACTED BASIS-SETS FOR RELATIVISTIC CALCULATIONS

L VISSCHER; PJC AERTS; O VISSER; WC NIEUWPOORT

KINETIC BALANCE IN CONTRACTED BASIS-SETS FOR RELATIVISTIC CALCULATIONS

L VISSCHER
, PJC AERTS
, O VISSER
, WC NIEUWPOORT

Research output: Contribution to journal › Article › Academic › peer-review

85 Citations (Scopus)

Abstract

A demonstration of kinetic balance failure in heavily contracted basis sets is given. Other possible methods of constructing small component basis sets for 4-component relativistic calculations are discussed. The position of the additional negative energy levels in extended balance calculations in some recent many-electron calculations is examined.

Original language	English
Pages (from-to)	131-139
Number of pages	9
Journal	International Journal of Quantum Chemistry
Publication status	Published - 1991

Handle.net

Persistent link

Cite this

@article{6ba2d6d79c62436ea3e61473599ca8b1,

title = "KINETIC BALANCE IN CONTRACTED BASIS-SETS FOR RELATIVISTIC CALCULATIONS",

abstract = "A demonstration of kinetic balance failure in heavily contracted basis sets is given. Other possible methods of constructing small component basis sets for 4-component relativistic calculations are discussed. The position of the additional negative energy levels in extended balance calculations in some recent many-electron calculations is examined.",

author = "L VISSCHER and PJC AERTS and O VISSER and WC NIEUWPOORT",

year = "1991",

language = "English",

pages = "131--139",

journal = "International Journal of Quantum Chemistry",

issn = "0020-7608",

publisher = "Wiley",

}

TY - JOUR

T1 - KINETIC BALANCE IN CONTRACTED BASIS-SETS FOR RELATIVISTIC CALCULATIONS

AU - VISSCHER, L

AU - AERTS, PJC

AU - VISSER, O

AU - NIEUWPOORT, WC

PY - 1991

Y1 - 1991

N2 - A demonstration of kinetic balance failure in heavily contracted basis sets is given. Other possible methods of constructing small component basis sets for 4-component relativistic calculations are discussed. The position of the additional negative energy levels in extended balance calculations in some recent many-electron calculations is examined.

AB - A demonstration of kinetic balance failure in heavily contracted basis sets is given. Other possible methods of constructing small component basis sets for 4-component relativistic calculations are discussed. The position of the additional negative energy levels in extended balance calculations in some recent many-electron calculations is examined.

M3 - Article

SN - 0020-7608

SP - 131

EP - 139

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

ER -

KINETIC BALANCE IN CONTRACTED BASIS-SETS FOR RELATIVISTIC CALCULATIONS

Abstract

Handle.net

Fingerprint

Cite this