ELECTRON CORRELATION, BASIS-SETS, AND THE METHYLENE SINGLET TRIPLET GAP

[1] BAIR RA, UNPUB

[2] THEORETICAL-STUDIES OF THE LOW-LYING STATES OF SCO, SCS, VO, AND VS [J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (10) : 5936 - 5942

[3] BOBROWICZ FW, 1977, MODERN THEORETICAL C, V3, P79

[4] THE POTENTIAL SURFACE OF X3B1 METHYLENE (CH2) AND THE SINGLET-TRIPLET SPLITTING [J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (07) : 3724 - 3731

[5] BONDING IN TRANSITION-METAL METHYLENE COMPLEXES .3. COMPARISON OF CR AND RU CARBENES - PREDICTION OF STABLE LNM(CXY) SYSTEMS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (16) : 4746 - 4754

[6] RELATION BETWEEN SINGLET TRIPLET GAPS AND BOND-ENERGIES [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (06) : 998 - 1001

[7] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +

[8] The proper treatment of off-diagonal lagrange multipliers and coupling operators in self-consistent field equations [J]. CHEMICAL PHYSICS LETTERS, 1969, 4 (05) : 231 - 234

[9] METHYLENE - ABINITIO VIBRONIC ANALYSIS AND REINTERPRETATION OF SPECTROSCOPIC AND NEGATIVE-ION PHOTOELECTRON EXPERIMENTS [J]. CHEMICAL PHYSICS LETTERS, 1978, 55 (02) : 217 - 220

[10] The orthogonality constrained basis set expansion method for treating off-diagonal lagrange multipliers in calculations of electronic wave functions [J]. CHEMICAL PHYSICS LETTERS, 1969, 3 (08) : 606 - 610

[1] BAIR RA, UNPUB

[2] THEORETICAL-STUDIES OF THE LOW-LYING STATES OF SCO, SCS, VO, AND VS [J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (10) : 5936 - 5942

[3] BOBROWICZ FW, 1977, MODERN THEORETICAL C, V3, P79

[4] THE POTENTIAL SURFACE OF X3B1 METHYLENE (CH2) AND THE SINGLET-TRIPLET SPLITTING [J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (07) : 3724 - 3731

[5] BONDING IN TRANSITION-METAL METHYLENE COMPLEXES .3. COMPARISON OF CR AND RU CARBENES - PREDICTION OF STABLE LNM(CXY) SYSTEMS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (16) : 4746 - 4754

[6] RELATION BETWEEN SINGLET TRIPLET GAPS AND BOND-ENERGIES [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (06) : 998 - 1001

[7] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +

[8] The proper treatment of off-diagonal lagrange multipliers and coupling operators in self-consistent field equations [J]. CHEMICAL PHYSICS LETTERS, 1969, 4 (05) : 231 - 234

[9] METHYLENE - ABINITIO VIBRONIC ANALYSIS AND REINTERPRETATION OF SPECTROSCOPIC AND NEGATIVE-ION PHOTOELECTRON EXPERIMENTS [J]. CHEMICAL PHYSICS LETTERS, 1978, 55 (02) : 217 - 220

[10] The orthogonality constrained basis set expansion method for treating off-diagonal lagrange multipliers in calculations of electronic wave functions [J]. CHEMICAL PHYSICS LETTERS, 1969, 3 (08) : 606 - 610