RELATIVISTIC GAUSSIAN-BASIS SETS FOR THE ATOMS HYDROGEN TO NEON

被引:13
作者
MARK, F
机构
来源
THEORETICA CHIMICA ACTA | 1986年 / 70卷 / 03期
关键词
D O I
10.1007/BF00531161
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:165 / 188
页数:24
相关论文
共 64 条
[51]  
POIRIER R, 1985, PHYSICAL SCI DATA, V24
[52]   NEW DEVELOPMENTS IN MOLECULAR ORBITAL THEORY [J].
ROOTHAAN, CCJ .
REVIEWS OF MODERN PHYSICS, 1951, 23 (02) :69-89
[53]  
RUEDENBERG K, 1973, ENERGY STRUCTURE REA, P164
[54]   RELATIVISTIC CONTRIBUTIONS TO IONIZATION ENERGIES AND BOND LENGTHS [J].
SCHWARZ, WHE ;
CHU, SY ;
MARK, F .
MOLECULAR PHYSICS, 1983, 50 (04) :603-623
[55]  
SHAVITT I, 1963, METHODS COMPUTATIONA, V2, P1
[56]   ON THE USE OF CONTRACTED BASIS FUNCTIONS IN RELATIVISTIC HARTREE-FOCK CALCULATIONS [J].
SOLLIEC, F ;
MIJOULE, C ;
LECLERCQ, JM .
CHEMICAL PHYSICS LETTERS, 1982, 85 (02) :190-194
[57]   KINETIC BALANCE - A PARTIAL SOLUTION TO THE PROBLEM OF VARIATIONAL SAFETY IN DIRAC CALCULATIONS [J].
STANTON, RE ;
HAVRILIAK, S .
JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (04) :1910-1918
[58]   SMALL GAUSSIAN EXPANSIONS OF ATOMIC ORBITALS [J].
STEWART, RF .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (06) :2485-&
[59]   FOUNDATIONS OF THE RELATIVISTIC THEORY OF MANY-ELECTRON ATOMS [J].
SUCHER, J .
PHYSICAL REVIEW A, 1980, 22 (02) :348-362
[60]   RELATIVISTIC SELF-CONSISTENT-FIELD CALCULATION OF WAVE FUNCTIONS EIGENVALUES ISOTOPE SHIFTS AND 6S HYPERFINE-STRUCTURE COUPLING CONSTANT AS A FUNCTION OF PRESSURE FOR METALLIC GOLD IN WIGNER-SEITZ MODEL [J].
TUCKER, TC ;
ROBERTS, LD ;
NESTOR, CW ;
CARLSON, TA .
PHYSICAL REVIEW, 1969, 178 (03) :998-&